Vitas-M small molecule compound
(2E)-3-(4-chloro-3-nitrophenyl)-N-{[2-(morpholin-4-yl)phenyl]carbamothioyl}prop-2-enamide
Catalog ID
STK864044
SMILES O=C(NC(=S)Nc1ccccc1N1CCOCC1)/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 C20H19ClN4O4S MW 446.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClN4O4S/c21-15-7-5-14(13-18(15)25(27)28)6-8-19(26)23-20(30)22-16-3-1-2-4-17(16)24-9-11-29-12-10-24/h1-8,13H,9-12H2,(H2,22,23,26,30)/b8-6+InChIKey
HPSFKBXHWWWCSD-SOFGYWHQSA-NSynonyms
530120-25-3(2E)3(4chloro3nitrophenyl)N((2(morpholin4yl)phenyl)carbamothioyl)prop2enamide
(E)3(4CHLORO3NITROPHENYL)N((2MORPHOLIN4YLPHENYL)CARBAMOTHIOYL)PROP2ENAMIDE
(E)3(4chloro3nitrophenyl)N((2morpholinophenyl)carbamothioyl)acrylamide
530120253
C1COCCN1C2=CC=CC=C2NC(=S)NC(=O)C=CC3=CC(=C(C=C3)Cl)(N+)(=O)(O)
InChI=1SC20H19ClN4O4Sc21157514(1318(15)25(27)28)6819(26)2320(30)2216312417(16)2491129121024h1813H912H2(H222232630)b86+
MFCD03563046
O=C(NC(=S)Nc1ccccc1N1CCOCC1)C=Cc1ccc(c(c1)(N+)(=O)(O))Cl
ZINC000002220890
ZINC02220890
ZINC2220890
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