Vitas-M small molecule compound
ethyl 5-({4-[(E)-(2-carbamothioylhydrazinylidene)methyl]-6,7-dimethoxy-1,3-benzodioxol-5-yl}methyl)-4,5-dihydro-1,2-oxazole-3-carboxylate
Catalog ID
STK692970
SMILES CCOC(=O)C1=NOC(C1)Cc1c(OC)c(OC)c2c(c1/C=N/NC(=S)N)OCO2
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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 C18H22N4O7S MW 438.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H22N4O7S/c1-4-26-17(23)12-6-9(29-22-12)5-10-11(7-20-21-18(19)30)14-16(28-8-27-14)15(25-3)13(10)24-2/h7,9H,4-6,8H2,1-3H3,(H3,19,21,30)/b20-7+InChIKey
LEXUBVUHUKALCU-IFRROFPPSA-NSynonyms
CCOC(=O)C1=NOC(C1)Cc1c(OC)c(OC)c2c(c1C=NNC(=S)N)OCO2
CCOC(=O)C1=NOC(C1)CC2=C(C3=C(C(=C2OC)OC)OCO3)C=NNC(=S)N
ethyl5((4((E)(2carbamothioylhydrazinylidene)methyl)67dimethoxy13benzodioxol5yl)methyl)45dihydro12oxazole3carboxylate
ethyl5((4((E)(carbamothioylhydrazinylidene)methyl)67dimethoxy13benzodioxol5yl)methyl)45dihydro12oxazole3carboxylate
InChI=1SC18H22N4O7Sc142617(23)1269(292212)51011(7202118(19)30)1416(2882714)15(253)13(10)242h79H468H213H3(H3192130)b207+
MFCD10039005
ZINC000015085401
ZINC000015085403
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