Vitas-M small molecule compound
(2Z)-3-{4-[(4-chlorophenyl)sulfanyl]-3-nitrophenyl}-2-cyanoprop-2-enethioamide
Catalog ID
STK728575
SMILES N#C/C(=C/c1ccc(c(c1)[N+](=O)[O-])Sc1ccc(cc1)Cl)/C(=S)N
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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 C16H10ClN3O2S2 MW 375.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H10ClN3O2S2/c17-12-2-4-13(5-3-12)24-15-6-1-10(8-14(15)20(21)22)7-11(9-18)16(19)23/h1-8H,(H2,19,23)/b11-7-InChIKey
MERRLSPOHJAGMS-XFFZJAGNSA-NSynonyms
(2Z)3(4((4chlorophenyl)sulfanyl)3nitrophenyl)2cyanoprop2enethioamide
(E)3(4((4chlorophenyl)thio)3nitrophenyl)2cyanoprop2enethioamide
(Z)3(4(4chlorophenyl)sulfanyl3nitrophenyl)2cyanoprop2enethioamide
C1=CC(=CC=C1SC2=C(C=C(C=C2)C=C(C#N)C(=S)N)(N+)(=O)(O))Cl
InChI=1SC16H10ClN3O2S2c17122413(5312)24156110(814(15)20(21)22)711(918)16(19)23h18H(H21923)b117
MFCD13371778
N#CC(=Cc1ccc(c(c1)(N+)(=O)(O))Sc1ccc(cc1)Cl)C(=S)N
ZINC000016429195
ZINC16429195
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