Vitas-M small molecule compound
3-methoxy-N-{[4-methyl-5-({2-[(4-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide
Catalog ID
STK251397
SMILES COc1cccc(c1)C(=O)NCc1nnc(n1C)SCC(=O)Nc1ccc(cc1)[N+](=O)[O-]
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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 C20H20N6O5S MW 456.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N6O5S/c1-25-17(11-21-19(28)13-4-3-5-16(10-13)31-2)23-24-20(25)32-12-18(27)22-14-6-8-15(9-7-14)26(29)30/h3-10H,11-12H2,1-2H3,(H,21,28)(H,22,27)InChIKey
YZAVDFLGYBUHJM-UHFFFAOYSA-NSynonyms
3METHOXYN((4METHYL5((2((4NITROPHENYL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)BENZAMIDE
3methoxyN((4methyl5(2(4nitroanilino)2oxoethyl)sulfanyl124triazol3yl)methyl)benzamide
3METHOXYN(4METHYL5((4NITROPHENYLCARBAMOYL)METHYLSULFANYL)4H(124)TRIAZOL3YLMETHYL)BENZAMIDE
CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)(N+)(=O)(O))CNC(=O)C3=CC(=CC=C3)OC
COc1cccc(c1)C(=O)NCc1nnc(n1C)SCC(=O)Nc1ccc(cc1)(N+)(=O)(O)
InChI=1SC20H20N6O5Sc12517(112119(28)1343516(1013)312)232420(25)321218(27)22146815(9714)26(29)30h310H1112H212H3(H2128)(H2227)
MFCD08670794
ZINC000009699339
ZINC09699339
ZINC9699339
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