Vitas-M small molecule compound
5-benzyl-2-{[(4-chloro-3-nitrophenyl)carbonyl]amino}-4-methylthiophene-3-carboxamide
Catalog ID
STK090700
SMILES O=C(c1ccc(c(c1)[N+](=O)[O-])Cl)Nc1sc(c(c1C(=O)N)C)Cc1ccccc1
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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 C20H16ClN3O4S MW 429.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16ClN3O4S/c1-11-16(9-12-5-3-2-4-6-12)29-20(17(11)18(22)25)23-19(26)13-7-8-14(21)15(10-13)24(27)28/h2-8,10H,9H2,1H3,(H2,22,25)(H,23,26)InChIKey
VFFWSQNQJDJDEK-UHFFFAOYSA-NSynonyms
5BENZYL2(((4CHLORO3NITROPHENYL)CARBONYL)AMINO)4METHYLTHIOPHENE3CARBOXAMIDE
5BENZYL2((4CHLORO3NITROBENZOYL)AMINO)4METHYLTHIOPHENE3CARBOXAMIDE
CC1=C(SC(=C1C(=O)N)NC(=O)C2=CC(=C(C=C2)Cl)(N+)(=O)(O))CC3=CC=CC=C3
InChI=1SC20H16ClN3O4Sc11116(9125324612)2920(17(11)18(22)25)2319(26)137814(21)15(1013)24(27)28h2810H9H21H3(H22225)(H2326)
MFCD03198713
O=C(c1ccc(c(c1)(N+)(=O)(O))Cl)Nc1sc(c(c1C(=O)N)C)Cc1ccccc1
STK090700
ZINC000012040469
ZINC12040469
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