Vitas-M small molecule compound
2-chloro-N-(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)-4-nitrobenzamide
Catalog ID
STK427726
SMILES N#Cc1c(NC(=O)c2ccc(cc2Cl)[N+](=O)[O-])sc2c1CCCCCC2
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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 C18H16ClN3O3S MW 389.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClN3O3S/c19-15-9-11(22(24)25)7-8-13(15)17(23)21-18-14(10-20)12-5-3-1-2-4-6-16(12)26-18/h7-9H,1-6H2,(H,21,23)InChIKey
OABACFMOGPNSJM-UHFFFAOYSA-NSynonyms
2chloroN(3cyano456789hexahydrocycloocta(b)thiophen2yl)4nitrobenzamide
C1CCCC2=C(CC1)C(=C(S2)NC(=O)C3=C(C=C(C=C3)(N+)(=O)(O))Cl)C#N
InChI=1SC18H16ClN3O3Sc1915911(22(24)25)7813(15)17(23)211814(1020)1253124616(12)2618h79H16H2(H2123)
MFCD01350406
N#Cc1c(NC(=O)c2ccc(cc2Cl)(N+)(=O)(O))sc2c1CCCCCC2
ZINC000002739239
ZINC02739239
ZINC2739239
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