Vitas-M small molecule compound
4-{(Z)-[5-imino-7-oxo-2-(pyridin-3-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-6(7H)-ylidene]methyl}-2-methoxyphenyl 4-tert-butylbenzoate
Catalog ID
STL233005
SMILES COc1cc(ccc1OC(=O)c1ccc(cc1)C(C)(C)C)/C=C/1\C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
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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 C29H25N5O4S MW 539.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25N5O4S/c1-29(2,3)20-10-8-18(9-11-20)27(36)38-22-12-7-17(15-23(22)37-4)14-21-24(30)34-28(32-25(21)35)39-26(33-34)19-6-5-13-31-16-19/h5-16,30H,1-4H3/b21-14-,30-24-InChIKey
PKNMTTUYCGOZQK-RJZHHPOMSA-NSynonyms
845804-84-4(Z)4((5imino7oxo2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)2methoxyphenyl4(tertbutyl)benzoate
4((Z)(5imino7oxo2(pyridin3yl)5H(134)thiadiazolo(32a)pyrimidin6(7H)ylidene)methyl)2methoxyphenyl4tertbutylbenzoate
845804844
COc1cc(ccc1OC(=O)c1ccc(cc1)C(C)(C)C)C=C1C(=O)N=c2n(C1=N)nc(s2)c1cccnc1
MFCD04170070
ZINC000101118214
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