Vitas-M small molecule compound
N-{4-[5-({1-[(3-nitrophenyl)amino]-1-oxobutan-2-yl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]phenyl}benzamide
Catalog ID
STK233000
SMILES C=CCn1c(nnc1c1ccc(cc1)NC(=O)c1ccccc1)SC(C(=O)Nc1cccc(c1)[N+](=O)[O-])CC
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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 C28H26N6O4S MW 542.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26N6O4S/c1-3-17-33-25(19-13-15-21(16-14-19)29-26(35)20-9-6-5-7-10-20)31-32-28(33)39-24(4-2)27(36)30-22-11-8-12-23(18-22)34(37)38/h3,5-16,18,24H,1,4,17H2,2H3,(H,29,35)(H,30,36)InChIKey
WQCLSFRKUWHAEC-UHFFFAOYSA-NSynonyms
C=CCn1c(nnc1c1ccc(cc1)NC(=O)c1ccccc1)SC(C(=O)Nc1cccc(c1)(N+)(=O)(O))CC
CCC(C(=O)NC1=CC(=CC=C1)(N+)(=O)(O))SC2=NN=C(N2CC=C)C3=CC=C(C=C3)NC(=O)C4=CC=CC=C4
InChI=1SC28H26N6O4Sc13173325(19131521(161419)2926(35)2096571020)313228(33)3924(42)27(36)30221181223(1822)34(37)38h35161824H1417H22H3(H2935)(H3036)
MFCD07358013
N(4(5((1((3NITROPHENYL)AMINO)1OXOBUTAN2YL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOL3YL)PHENYL)BENZAMIDE
N(4(5(1(3NITROANILINO)1OXOBUTAN2YL)SULFANYL4PROP2ENYL124TRIAZOL3YL)PHENYL)BENZAMIDE
ZINC000059616964
ZINC000059616974
Check stock
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