Vitas-M small molecule compound
2-({4-methyl-5-[2-oxo-2-(phenylamino)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-nitrophenyl)butanamide
Catalog ID
STK267261
SMILES CCC(C(=O)Nc1ccc(cc1)[N+](=O)[O-])Sc1nnc(n1C)CC(=O)Nc1ccccc1
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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 C21H22N6O4S MW 454.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N6O4S/c1-3-17(20(29)23-15-9-11-16(12-10-15)27(30)31)32-21-25-24-18(26(21)2)13-19(28)22-14-7-5-4-6-8-14/h4-12,17H,3,13H2,1-2H3,(H,22,28)(H,23,29)InChIKey
HJIVWFFSRQXYGS-UHFFFAOYSA-NSynonyms
2((4methyl5(2oxo2(phenylamino)ethyl)4H124triazol3yl)sulfanyl)N(4nitrophenyl)butanamide
2((5(2anilino2oxoethyl)4methyl124triazol3yl)sulfanyl)N(4nitrophenyl)butanamide
2(4METHYL5PHENYLCARBAMOYLMETHYL4H(124)TRIAZOL3YLSULFANYL)N(4NITROPHENYL)BUTYRAMIDE
CCC(C(=O)NC1=CC=C(C=C1)(N+)(=O)(O))SC2=NN=C(N2C)CC(=O)NC3=CC=CC=C3
CCC(C(=O)Nc1ccc(cc1)(N+)(=O)(O))Sc1nnc(n1C)CC(=O)Nc1ccccc1
InChI=1SC21H22N6O4Sc1317(20(29)231591116(121015)27(30)31)3221252418(26(21)2)1319(28)22147546814h41217H313H212H3(H2228)(H2329)
MFCD09267900
ZINC000009583188
ZINC000009583193
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