Vitas-M small molecule compound
2-{[(4-chloro-3-nitrophenyl)carbonyl]amino}-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK460339
SMILES CCC1CCc2c(C1)sc(c2C(=O)N)NC(=O)c1ccc(c(c1)[N+](=O)[O-])Cl
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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 C18H18ClN3O4S MW 407.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18ClN3O4S/c1-2-9-3-5-11-14(7-9)27-18(15(11)16(20)23)21-17(24)10-4-6-12(19)13(8-10)22(25)26/h4,6,8-9H,2-3,5,7H2,1H3,(H2,20,23)(H,21,24)InChIKey
HSHVPIIFWJWWRY-UHFFFAOYSA-NSynonyms
2(((4chloro3nitrophenyl)carbonyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxamide
2((4chloro3nitrobenzoyl)amino)6ethyl4567tetrahydro1benzothiophene3carboxamide
CCC1CCC2=C(C1)SC(=C2C(=O)N)NC(=O)C3=CC(=C(C=C3)Cl)(N+)(=O)(O)
CCC1CCc2c(C1)sc(c2C(=O)N)NC(=O)c1ccc(c(c1)(N+)(=O)(O))Cl
InChI=1SC18H18ClN3O4Sc129351114(79)2718(15(11)16(20)23)2117(24)104612(19)13(810)22(25)26h4689H2357H21H3(H22023)(H2124)
MFCD01351567
ZINC000005476597
ZINC000005476931
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