Vitas-M small molecule compound

2-{[5-cyclopropyl-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-nitrophenyl)acetamide

Catalog ID
STK490969
SMILES O=C(Nc1ccccc1[N+](=O)[O-])CSc1nnc(n1C(C)C)C1CC1

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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 C16H19N5O3S MW 361.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19N5O3S/c1-10(2)20-15(11-7-8-11)18-19-16(20)25-9-14(22)17-12-5-3-4-6-13(12)21(23)24/h3-6,10-11H,7-9H2,1-2H3,(H,17,22)
InChIKey
BUUMWZTXXHBPSX-UHFFFAOYSA-N
Synonyms

2((5cyclopropyl4(propan2yl)4H124triazol3yl)sulfanyl)N(2nitrophenyl)acetamide
2((5cyclopropyl4propan2yl124triazol3yl)sulfanyl)N(2nitrophenyl)acetamide
2(5CYCLOPROPYL4(METHYLETHYL)(124TRIAZOL3YLTHIO))N(2NITROPHENYL)ACETAMIDE
CC(C)N1C(=NN=C1SCC(=O)NC2=CC=CC=C2(N+)(=O)(O))C3CC3
InChI=1SC16H19N5O3Sc110(2)2015(117811)181916(20)25914(22)1712534613(12)21(23)24h361011H79H212H3(H1722)
MFCD06034629
O=C(Nc1ccccc1(N+)(=O)(O))CSc1nnc(n1C(C)C)C1CC1
ZINC000014066182
ZINC14066182

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Available files

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