Vitas-M small molecule compound
4-(benzoyloxy)-5-[(benzoyloxy)methyl]-2-(6-{[4-({2-[3,4-bis(benzoyloxy)-5-[(benzoyloxy)methyl]oxolan-2-yl]-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl}sulfanyl)butyl]sulfanyl}-3,5-dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-2-yl)oxolan-3-yl benzoate
Catalog ID
STL529156
SMILES O=C(c1ccccc1)OC1C(OC(=O)c2ccccc2)C(OC1n1nc(SCCCCSc2nn(c(=O)[nH]c2=O)C2OC(C(C2OC(=O)c2ccccc2)OC(=O)c2ccccc2)COC(=O)c2ccccc2)c(=O)[nH]c1=O)COC(=O)c1ccccc1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C62H52N6O18S2 MW 1233.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C62H52N6O18S2/c69-49-51(65-67(61(77)63-49)53-47(85-59(75)41-29-15-5-16-30-41)45(83-57(73)39-25-11-3-12-26-39)43(81-53)35-79-55(71)37-21-7-1-8-22-37)87-33-19-20-34-88-52-50(70)64-62(78)68(66-52)54-48(86-60(76)42-31-17-6-18-32-42)46(84-58(74)40-27-InChIKey
CGMMOFSRGVYESV-UHFFFAOYSA-NSynonyms
(34dibenzoyloxy5(6(4((2(34dibenzoyloxy5(benzoyloxymethyl)oxolan2yl)35dioxo124triazin6yl)sulfanyl)butylsulfanyl)35dioxo124triazin2yl)oxolan2yl)methylbenzoate
16132480
2(6(4(2(34DIPHENYLCARBONYLOXY5(PHENYLCARBONYLOXYMETHYL)OXOLAN2YL)35DIOXO(4H124TRIAZIN6YLTHIO))BUTYLTHIO)35DIOXO(4H124TRIAZIN2YL))4PHENYLCARBONYLOXY5(PHENYLCARBONYLOXY
InChI=1SC62H52N6O18S2c694951(6567(61(77)6349)5347(8559(75)4129155163041)45(8357(73)3925113122639)43(8153)357955(71)37217182237)8733192034885250(70)6462(78)68(6652)5448(8660(76)4231176183242)46(8458(74)4027134142840)44(8254)368056(72)382392102438h1182
METHYL)OXOLAN3YLBENZOATE
MFCD00546592
O=C(c1ccccc1)O(C@@H)1(C@H)(OC(=O)c2ccccc2)(C@H)(O(C@H)1n1nc(SCCCCSc2nn(c(=O)(nH)c2=O)(C@@H)2O(C@@H)((C@H)((C@H)2OC(=O)c2ccccc2)OC(=O)c2ccccc2)COC(=O)c2ccccc2)c(=O)(nH)c1=O)COC(=O)c1ccccc1
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