Vitas-M small molecule compound
2-({[3-nitro-4-(pyrrolidin-1-yl)phenyl]carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Catalog ID
STK389826
SMILES O=C(c1ccc(c(c1)[N+](=O)[O-])N1CCCC1)Nc1sc2c(c1C(=O)N)CCCC2
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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 C20H22N4O4S MW 414.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N4O4S/c21-18(25)17-13-5-1-2-6-16(13)29-20(17)22-19(26)12-7-8-14(15(11-12)24(27)28)23-9-3-4-10-23/h7-8,11H,1-6,9-10H2,(H2,21,25)(H,22,26)InChIKey
MWWDGJXHGLCWQI-UHFFFAOYSA-NSynonyms
847470-55-72(((3nitro4(pyrrolidin1yl)phenyl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxamide
2((3nitro4pyrrolidin1ylbenzoyl)amino)4567tetrahydro1benzothiophene3carboxamide
2(3nitro4(pyrrolidin1yl)benzamido)4567tetrahydrobenzo(b)thiophene3carboxamide
847470557
C1CCC2=C(C1)C(=C(S2)NC(=O)C3=CC(=C(C=C3)N4CCCC4)(N+)(=O)(O))C(=O)N
InChI=1SC20H22N4O4Sc2118(25)1713512616(13)2920(17)2219(26)127814(15(1112)24(27)28)239341023h7811H16910H2(H22125)(H2226)
MFCD04966598
O=C(c1ccc(c(c1)(N+)(=O)(O))N1CCCC1)Nc1sc2c(c1C(=O)N)CCCC2
ZINC000004122622
ZINC04122622
ZINC4122622
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