Vitas-M small molecule compound

2-ethoxy-3-nitro-4-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenyl acetate

Catalog ID
STK980255
SMILES C=CCN1C(=S)S/C(=C\c2ccc(c(c2[N+](=O)[O-])OCC)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 C17H16N2O6S2 MW 408.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16N2O6S2/c1-4-8-18-16(21)13(27-17(18)26)9-11-6-7-12(25-10(3)20)15(24-5-2)14(11)19(22)23/h4,6-7,9H,1,5,8H2,2-3H3/b13-9-
InChIKey
NZIHRACITJCKQT-LCYFTJDESA-N
Synonyms

(2ETHOXY3NITRO4((Z)(4OXIDANYLIDENE3PROP2ENYL2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENYL)ETHANOATE
(2ETHOXY3NITRO4((Z)(4OXO3PROP2ENYL2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)PHENYL)ACETATE
2ethoxy3nitro4((Z)(4oxo3(prop2en1yl)2thioxo13thiazolidin5ylidene)methyl)phenylacetate
4((3ALLYL4OXO2THIOXO13THIAZOLIDIN5YLIDENE)METHYL)2ETHOXY3NITROPHENYLACETATE
ACETICACID(2ETHOXY3NITRO4((Z)(4OXO3PROP2ENYL2SULFANYLIDENE5THIAZOLIDINYLIDENE)METHYL)PHENYL)ESTER
ACETICACID(4((Z)(3ALLYL4KETO2THIOXOTHIAZOLIDIN5YLIDENE)METHYL)2ETHOXY3NITROPHENYL)ESTER
C=CCN1C(=S)SC(=Cc2ccc(c(c2(N+)(=O)(O))OCC)OC(=O)C)C1=O
CCOC1=C(C=CC(=C1(N+)(=O)(O))C=C2C(=O)N(C(=S)S2)CC=C)OC(=O)C
InChI=1SC17H16N2O6S2c1481816(21)13(2717(18)26)9116712(2510(3)20)15(2452)14(11)19(22)23h4679H158H223H3b139
MFCD03723346
ZINC000012731525
ZINC12731525

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Available files

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