Vitas-M small molecule compound
2-methoxy-6-nitro-4-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl acetate
Catalog ID
STK980291
SMILES C=CCN1C(=S)S/C(=C\c2cc(OC)c(c(c2)[N+](=O)[O-])OC(=O)C)/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 C16H14N2O6S2 MW 394.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N2O6S2/c1-4-5-17-15(20)13(26-16(17)25)8-10-6-11(18(21)22)14(24-9(2)19)12(7-10)23-3/h4,6-8H,1,5H2,2-3H3/b13-8-InChIKey
QSYHYUKUSUKHHT-JYRVWZFOSA-NSynonyms
(2METHOXY6NITRO4((Z)(4OXO3PROP2ENYL2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENYL)ACETATE
2methoxy6nitro4((Z)(4oxo3(prop2en1yl)2thioxo13thiazolidin5ylidene)methyl)phenylacetate
C=CCN1C(=S)SC(=Cc2cc(OC)c(c(c2)(N+)(=O)(O))OC(=O)C)C1=O
CC(=O)OC1=C(C=C(C=C1OC)C=C2C(=O)N(C(=S)S2)CC=C)(N+)(=O)(O)
InChI=1SC16H14N2O6S2c1451715(20)13(2616(17)25)810611(18(21)22)14(249(2)19)12(710)233h468H15H223H3b138
MFCD04209271
ZINC000015016676
ZINC15016676
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