Vitas-M small molecule compound
2-{[(4-methyl-3-nitrophenyl)carbonyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Catalog ID
STK487343
SMILES O=C(c1ccc(c(c1)[N+](=O)[O-])C)Nc1sc2c(c1C(=O)N)CCCCCC2
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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 C19H21N3O4S MW 387.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N3O4S/c1-11-8-9-12(10-14(11)22(25)26)18(24)21-19-16(17(20)23)13-6-4-2-3-5-7-15(13)27-19/h8-10H,2-7H2,1H3,(H2,20,23)(H,21,24)InChIKey
DUUFOCJMBNMOQX-UHFFFAOYSA-NSynonyms
2(((4methyl3nitrophenyl)carbonyl)amino)456789hexahydrocycloocta(b)thiophene3carboxamide
2((4methyl3nitrobenzoyl)amino)456789hexahydrocycloocta(b)thiophene3carboxamide
CC1=C(C=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCCCC3)C(=O)N)(N+)(=O)(O)
InChI=1SC19H21N3O4Sc1118912(1014(11)22(25)26)18(24)211916(17(20)23)1364235715(13)2719h810H27H21H3(H22023)(H2124)
MFCD03379393
O=C(c1ccc(c(c1)(N+)(=O)(O))C)Nc1sc2c(c1C(=O)N)CCCCCC2
ZINC000006278656
ZINC06278656
ZINC6278656
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