Vitas-M small molecule compound
4-bromo-2-[(E)-(4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 4-nitrobenzenesulfonate
Catalog ID
STL382801
SMILES S=C1NC(=O)/C(=C\c2cc(Br)ccc2OS(=O)(=O)c2ccc(cc2)[N+](=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 C16H9BrN2O6S3 MW 501.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H9BrN2O6S3/c17-10-1-6-13(9(7-10)8-14-15(20)18-16(26)27-14)25-28(23,24)12-4-2-11(3-5-12)19(21)22/h1-8H,(H,18,20,26)/b14-8+InChIKey
RYWZZPRMWIIAGC-RIYZIHGNSA-NSynonyms
(4BROMO2((E)(4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENYL)4NITROBENZENESULFONATE
4bromo2((E)(4oxo2thioxo13thiazolidin5ylidene)methyl)phenyl4nitrobenzenesulfonate
C1=CC(=CC=C1(N+)(=O)(O))S(=O)(=O)OC2=C(C=C(C=C2)Br)C=C3C(=O)NC(=S)S3
InChI=1SC16H9BrN2O6S3c17101613(9(710)81415(20)1816(26)2714)2528(2324)124211(3512)19(21)22h18H(H182026)b148+
MFCD03021476
S=C1NC(=O)C(=Cc2cc(Br)ccc2OS(=O)(=O)c2ccc(cc2)(N+)(=O)(O))S1
ZINC000002949288
ZINC2949288
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