Vitas-M small molecule compound
3-{5-[(Z)-{(2Z)-2-[(4-bromo-2-chlorophenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}methyl]furan-2-yl}-4-chlorobenzoic acid
Catalog ID
STK153119
SMILES Brc1ccc(c(c1)Cl)/N=C\1/NC(=O)/C(=C/c2ccc(o2)c2cc(ccc2Cl)C(=O)O)/S1
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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 C21H11BrCl2N2O4S MW 538.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H11BrCl2N2O4S/c22-11-2-5-16(15(24)8-11)25-21-26-19(27)18(31-21)9-12-3-6-17(30-12)13-7-10(20(28)29)1-4-14(13)23/h1-9H,(H,28,29)(H,25,26,27)/b18-9-InChIKey
XRSNUWZDEHJTHA-NVMNQCDNSA-NSynonyms
3(5((Z)((2Z)2((4BROMO2CHLOROPHENYL)IMINO)4OXO13THIAZOLIDIN5YLIDENE)METHYL)FURAN2YL)4CHLOROBENZOICACID
3(5((Z)(2(4BROMO2CHLOROANILINO)4OXO13THIAZOL5YLIDENE)METHYL)FURAN2YL)4CHLOROBENZOICACID
Brc1ccc(c(c1)Cl)N=C1NC(=O)C(=Cc2ccc(o2)c2cc(ccc2Cl)C(=O)O)S1
C1=CC(=C(C=C1C(=O)O)C2=CC=C(O2)C=C3C(=O)N=C(S3)NC4=C(C=C(C=C4)Br)Cl)Cl
InChI=1SC21H11BrCl2N2O4Sc22112516(15(24)811)25212619(27)18(3121)9123617(3012)13710(20(28)29)1414(13)23h19H(H2829)(H252627)b189
MFCD06662929
ZINC000097960136
ZINC97960136
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