Vitas-M small molecule compound
(2E)-N-[(4-chloro-3-nitrophenyl)carbamothioyl]-3-phenylprop-2-enamide
Catalog ID
STK061897
SMILES S=C(Nc1ccc(c(c1)[N+](=O)[O-])Cl)NC(=O)/C=C/c1ccccc1
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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 C16H12ClN3O3S MW 361.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H12ClN3O3S/c17-13-8-7-12(10-14(13)20(22)23)18-16(24)19-15(21)9-6-11-4-2-1-3-5-11/h1-10H,(H2,18,19,21,24)/b9-6+InChIKey
YRKKKEQYZYTXSM-RMKNXTFCSA-NSynonyms
(2E)N((4CHLORO3NITROPHENYL)CARBAMOTHIOYL)3PHENYLPROP2ENAMIDE
(E)N((4CHLORO3NITROPHENYL)CARBAMOTHIOYL)3PHENYLPROP2ENAMIDE
C1=CC=C(C=C1)C=CC(=O)NC(=S)NC2=CC(=C(C=C2)Cl)(N+)(=O)(O)
InChI=1SC16H12ClN3O3Sc17138712(1014(13)20(22)23)1816(24)1915(21)96114213511h110H(H218192124)b96+
MFCD03586430
S=C(Nc1ccc(c(c1)(N+)(=O)(O))Cl)NC(=O)C=Cc1ccccc1
STK061897
ZINC000006884786
ZINC06884786
ZINC6884786
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