Vitas-M small molecule compound

(2E)-3-(4-chloro-3-nitrophenyl)-N-{[2-(pyrrolidin-1-yl)phenyl]carbamothioyl}prop-2-enamide

Catalog ID
STK248201
SMILES O=C(NC(=S)Nc1ccccc1N1CCCC1)/C=C/c1ccc(c(c1)[N+](=O)[O-])Cl

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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 C20H19ClN4O3S MW 430.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClN4O3S/c21-15-9-7-14(13-18(15)25(27)28)8-10-19(26)23-20(29)22-16-5-1-2-6-17(16)24-11-3-4-12-24/h1-2,5-10,13H,3-4,11-12H2,(H2,22,23,26,29)/b10-8+
InChIKey
LIBNYDRRMHHJHL-CSKARUKUSA-N
Synonyms
535939-25-4
(2E)3(4chloro3nitrophenyl)N((2(pyrrolidin1yl)phenyl)carbamothioyl)prop2enamide
(E)3(4chloro3nitrophenyl)N((2(pyrrolidin1yl)phenyl)carbamothioyl)acrylamide
(E)3(4CHLORO3NITROPHENYL)N((2PYRROLIDIN1YLPHENYL)CARBAMOTHIOYL)PROP2ENAMIDE
535939254
C1CCN(C1)C2=CC=CC=C2NC(=S)NC(=O)C=CC3=CC(=C(C=C3)Cl)(N+)(=O)(O)
InChI=1SC20H19ClN4O3Sc21159714(1318(15)25(27)28)81019(26)2320(29)2216512617(16)2411341224h1251013H341112H2(H222232629)b108+
MFCD03571403
O=C(NC(=S)Nc1ccccc1N1CCCC1)C=Cc1ccc(c(c1)(N+)(=O)(O))Cl
ZINC000001133277
ZINC01133277
ZINC1133277

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Available files

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