Vitas-M small molecule compound
N-(4-{[(2E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]amino}phenyl)thiophene-2-carboxamide
Catalog ID
STK136064
SMILES O=C(Nc1ccc(cc1)NC(=O)c1cccs1)/C=C/c1ccc(c(c1)[N+](=O)[O-])Cl
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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 C20H14ClN3O4S MW 427.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14ClN3O4S/c21-16-9-3-13(12-17(16)24(27)28)4-10-19(25)22-14-5-7-15(8-6-14)23-20(26)18-2-1-11-29-18/h1-12H,(H,22,25)(H,23,26)/b10-4+InChIKey
XPQDXIOGZGNFOU-ONNFQVAWSA-NSynonyms
C1=CSC(=C1)C(=O)NC2=CC=C(C=C2)NC(=O)C=CC3=CC(=C(C=C3)Cl)(N+)(=O)(O)
InChI=1SC20H14ClN3O4Sc21169313(1217(16)24(27)28)41019(25)22145715(8614)2320(26)1821112918h112H(H2225)(H2326)b104+
MFCD03065264
N(4(((2E)3(4CHLORO3NITROPHENYL)PROP2ENOYL)AMINO)PHENYL)THIOPHENE2CARBOXAMIDE
N(4(((E)3(4CHLORO3NITROPHENYL)PROP2ENOYL)AMINO)PHENYL)THIOPHENE2CARBOXAMIDE
O=C(Nc1ccc(cc1)NC(=O)c1cccs1)C=Cc1ccc(c(c1)(N+)(=O)(O))Cl
ZINC000001148286
ZINC01148286
ZINC1148286
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