Vitas-M small molecule compound
2-{[(4-ethoxy-3-nitrophenyl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Catalog ID
STK248476
SMILES CCOc1ccc(cc1[N+](=O)[O-])C(=O)Nc1sc2c(c1C(=O)N)CCCCC2
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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 C19H21N3O5S MW 403.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21N3O5S/c1-2-27-14-9-8-11(10-13(14)22(25)26)18(24)21-19-16(17(20)23)12-6-4-3-5-7-15(12)28-19/h8-10H,2-7H2,1H3,(H2,20,23)(H,21,24)InChIKey
WQDRDNPGRIJELP-UHFFFAOYSA-NSynonyms
2(((4ethoxy3nitrophenyl)carbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxamide
2((4ethoxy3nitrobenzoyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxamide
CCOC1=C(C=C(C=C1)C(=O)NC2=C(C3=C(S2)CCCCC3)C(=O)N)(N+)(=O)(O)
CCOc1ccc(cc1(N+)(=O)(O))C(=O)Nc1sc2c(c1C(=O)N)CCCCC2
InChI=1SC19H21N3O5Sc1227149811(1013(14)22(25)26)18(24)211916(17(20)23)126435715(12)2819h810H27H21H3(H22023)(H2124)
MFCD04217399
ZINC000002845816
ZINC02845816
ZINC2845816
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