Vitas-M small molecule compound
2-[(5-{2-[(3-methoxyphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methyl-5-nitrophenyl)acetamide
Catalog ID
STK246044
SMILES COc1cccc(c1)NC(=O)Cc1nnc(n1C)SCC(=O)Nc1cc(ccc1C)[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 C21H22N6O5S MW 470.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N6O5S/c1-13-7-8-15(27(30)31)10-17(13)23-20(29)12-33-21-25-24-18(26(21)2)11-19(28)22-14-5-4-6-16(9-14)32-3/h4-10H,11-12H2,1-3H3,(H,22,28)(H,23,29)InChIKey
VZWIBPZJSUZOKR-UHFFFAOYSA-NSynonyms
2((5(2((3METHOXYPHENYL)AMINO)2OXOETHYL)4METHYL4H124TRIAZOL3YL)SULFANYL)N(2METHYL5NITROPHENYL)ACETAMIDE
CC1=C(C=C(C=C1)(N+)(=O)(O))NC(=O)CSC2=NN=C(N2C)CC(=O)NC3=CC(=CC=C3)OC
COc1cccc(c1)NC(=O)Cc1nnc(n1C)SCC(=O)Nc1cc(ccc1C)(N+)(=O)(O)
InChI=1SC21H22N6O5Sc1137815(27(30)31)1017(13)2320(29)123321252418(26(21)2)1119(28)221454616(914)323h410H1112H213H3(H2228)(H2329)
MFCD08670930
N(3METHOXYPHENYL)2(4METHYL5((2METHYL5NITROPHENYLCARBAMOYL)METHYLSULFANYL)4H(124)TRIAZOL3YL)ACETAMIDE
N(3methoxyphenyl)2(4methyl5(2(2methyl5nitroanilino)2oxoethyl)sulfanyl124triazol3yl)acetamide
ZINC000009328721
ZINC09328721
ZINC9328721
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