Vitas-M small molecule compound
(2E)-N-[(4-ethoxy-2-nitrophenyl)carbamothioyl]-3-(4-fluorophenyl)prop-2-enamide
Catalog ID
STL046517
SMILES CCOc1ccc(c(c1)[N+](=O)[O-])NC(=S)NC(=O)/C=C/c1ccc(cc1)F
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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 C18H16FN3O4S MW 389.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16FN3O4S/c1-2-26-14-8-9-15(16(11-14)22(24)25)20-18(27)21-17(23)10-5-12-3-6-13(19)7-4-12/h3-11H,2H2,1H3,(H2,20,21,23,27)/b10-5+InChIKey
RJWXQVLZDKIJBS-BJMVGYQFSA-NSynonyms
412963-96-3(2E)N((4ethoxy2nitrophenyl)carbamothioyl)3(4fluorophenyl)prop2enamide
(E)N((4ethoxy2nitrophenyl)carbamothioyl)3(4fluorophenyl)acrylamide
(E)N((4ETHOXY2NITROPHENYL)CARBAMOTHIOYL)3(4FLUOROPHENYL)PROP2ENAMIDE
412963963
CCOC1=CC(=C(C=C1)NC(=S)NC(=O)C=CC2=CC=C(C=C2)F)(N+)(=O)(O)
CCOc1ccc(c(c1)(N+)(=O)(O))NC(=S)NC(=O)C=Cc1ccc(cc1)F
InChI=1SC18H16FN3O4Sc1226148915(16(1114)22(24)25)2018(27)2117(23)105123613(19)7412h311H2H21H3(H220212327)b105+
MFCD00361019
ZINC000003878133
ZINC03878133
ZINC3878133
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