Vitas-M small molecule compound

(3Z)-1-ethyl-5-nitro-3-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]-1,3-dihydro-2H-indol-2-one

Catalog ID
STK980272
SMILES C=CCN1C(=S)S/C(=C\2/c3cc(ccc3N(C2=O)CC)[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 C16H13N3O4S2 MW 375.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H13N3O4S2/c1-3-7-18-15(21)13(25-16(18)24)12-10-8-9(19(22)23)5-6-11(10)17(4-2)14(12)20/h3,5-6,8H,1,4,7H2,2H3/b13-12-
InChIKey
OOLPAYZWYUYJBT-SEYXRHQNSA-N
Synonyms

(3Z)1ethyl5nitro3(4oxo3(prop2en1yl)2thioxo13thiazolidin5ylidene)13dihydro2Hindol2one
(5Z)5(1ETHYL5NITRO2OXOINDOL3YLIDENE)3PROP2ENYL2SULFANYLIDENE13THIAZOLIDIN4ONE
C=CCN1C(=S)SC(=C2c3cc(ccc3N(C2=O)CC)(N+)(=O)(O))C1=O
CCN1C2=C(C=C(C=C2)(N+)(=O)(O))C(=C3C(=O)N(C(=S)S3)CC=C)C1=O
InChI=1SC16H13N3O4S2c1371815(21)13(2516(18)24)121089(19(22)23)5611(10)17(42)14(12)20h3568H147H22H3b1312
MFCD03723598
ZINC000004954025
ZINC04954025
ZINC4954025

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Available files

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