Vitas-M small molecule compound

4-amino-N-[4-(dimethylamino)phenyl]-2-({2-[(3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-1,3-thiazole-5-carboxamide

Catalog ID
STK535077
SMILES O=C(Nc1cccc(c1)[N+](=O)[O-])CSc1nc(c(s1)C(=O)Nc1ccc(cc1)N(C)C)N

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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 C20H20N6O4S2 MW 472.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N6O4S2/c1-25(2)14-8-6-12(7-9-14)23-19(28)17-18(21)24-20(32-17)31-11-16(27)22-13-4-3-5-15(10-13)26(29)30/h3-10H,11,21H2,1-2H3,(H,22,27)(H,23,28)
InChIKey
IJMYXARQGMMUGJ-UHFFFAOYSA-N
Synonyms

2(4AMINO5(N(4(DIMETHYLAMINO)PHENYL)CARBAMOYL)(13THIAZOL2YLTHIO))N(3NITROPHENYL)ACETAMIDE
4aminoN(4(dimethylamino)phenyl)2((2((3nitrophenyl)amino)2oxoethyl)sulfanyl)13thiazole5carboxamide
4aminoN(4(dimethylamino)phenyl)2((2((3nitrophenyl)amino)2oxoethyl)thio)thiazole5carboxamide
4aminoN(4(dimethylamino)phenyl)2(2(3nitroanilino)2oxoethyl)sulfanyl13thiazole5carboxamide
4AMINON(4DIMETHYLAMINOPHENYL)2(2(3NITROANILINO)2OXOETHYL)SULFANYL13THIAZOLE5CARBOXAMIDE
CN(C)C1=CC=C(C=C1)NC(=O)C2=C(N=C(S2)SCC(=O)NC3=CC(=CC=C3)(N+)(=O)(O))N
InChI=1SC20H20N6O4S2c125(2)148612(7914)2319(28)1718(21)2420(3217)311116(27)221343515(1013)26(29)30h310H1121H212H3(H2227)(H2328)
MFCD02940342
O=C(Nc1cccc(c1)(N+)(=O)(O))CSc1nc(c(s1)C(=O)Nc1ccc(cc1)N(C)C)N
ZINC000008781176
ZINC08781176
ZINC8781176

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.