Vitas-M small molecule compound
2-ethoxy-4-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl 2-nitrobenzenesulfonate
Catalog ID
STK015895
SMILES C=CCN1C(=S)S/C(=C\c2ccc(c(c2)OCC)OS(=O)(=O)c2ccccc2[N+](=O)[O-])/C1=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 C21H18N2O7S3 MW 506.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O7S3/c1-3-11-22-20(24)18(32-21(22)31)13-14-9-10-16(17(12-14)29-4-2)30-33(27,28)19-8-6-5-7-15(19)23(25)26/h3,5-10,12-13H,1,4,11H2,2H3/b18-13-InChIKey
NEDXFMGURQLKTL-AQTBWJFISA-NSynonyms
(2ETHOXY4((Z)(4OXO3PROP2ENYL2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENYL)2NITROBENZENESULFONATE
2ETHOXY4((Z)(4OXO3(PROP2EN1YL)2THIOXO13THIAZOLIDIN5YLIDENE)METHYL)PHENYL2NITROBENZENESULFONATE
C=CCN1C(=S)SC(=Cc2ccc(c(c2)OCC)OS(=O)(=O)c2ccccc2(N+)(=O)(O))C1=O
CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CC=C)OS(=O)(=O)C3=CC=CC=C3(N+)(=O)(O)
InChI=1SC21H18N2O7S3c13112220(24)18(3221(22)31)131491016(17(1214)2942)3033(2728)19865715(19)23(25)26h35101213H1411H22H3b1813
MFCD03227424
STK015895
ZINC000013940153
ZINC13940153
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