Vitas-M small molecule compound
3,4-dichloro-N-{2-[5-({2-[(2-methyl-5-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide
Catalog ID
STK186804
SMILES C=CCn1c(CCNC(=O)c2ccc(c(c2)Cl)Cl)nnc1SCC(=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 C23H22Cl2N6O4S MW 549.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22Cl2N6O4S/c1-3-10-30-20(8-9-26-22(33)15-5-7-17(24)18(25)11-15)28-29-23(30)36-13-21(32)27-19-12-16(31(34)35)6-4-14(19)2/h3-7,11-12H,1,8-10,13H2,2H3,(H,26,33)(H,27,32)InChIKey
OVCHBVNCCWOLLY-UHFFFAOYSA-NSynonyms
34DICHLORON(2(5((2((2METHYL5NITROPHENYL)AMINO)2OXOETHYL)SULFANYL)4(PROP2EN1YL)4H124TRIAZOL3YL)ETHYL)BENZAMIDE
34DICHLORON(2(5(2(2METHYL5NITROANILINO)2OXOETHYL)SULFANYL4PROP2ENYL124TRIAZOL3YL)ETHYL)BENZAMIDE
C=CCn1c(CCNC(=O)c2ccc(c(c2)Cl)Cl)nnc1SCC(=O)Nc1cc(ccc1C)(N+)(=O)(O)
CC1=C(C=C(C=C1)(N+)(=O)(O))NC(=O)CSC2=NN=C(N2CC=C)CCNC(=O)C3=CC(=C(C=C3)Cl)Cl
InChI=1SC23H22Cl2N6O4Sc13103020(892622(33)155717(24)18(25)1115)282923(30)361321(32)27191216(31(34)35)6414(19)2h371112H181013H22H3(H2633)(H2732)
MFCD05998981
ZINC000059612088
ZINC59612088
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