Vitas-M small molecule compound
2-{[(5-chloro-2-nitrophenyl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Catalog ID
STK433204
SMILES Clc1ccc(c(c1)C(=O)Nc1sc2c(c1C(=O)N)CCCCC2)[N+](=O)[O-]
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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 C17H16ClN3O4S MW 393.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H16ClN3O4S/c18-9-6-7-12(21(24)25)11(8-9)16(23)20-17-14(15(19)22)10-4-2-1-3-5-13(10)26-17/h6-8H,1-5H2,(H2,19,22)(H,20,23)InChIKey
JOENYIRDXSAOPM-UHFFFAOYSA-NSynonyms
2(((5chloro2nitrophenyl)carbonyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxamide
2((5chloro2nitrobenzoyl)amino)5678tetrahydro4Hcyclohepta(b)thiophene3carboxamide
C1CCC2=C(CC1)SC(=C2C(=O)N)NC(=O)C3=C(C=CC(=C3)Cl)(N+)(=O)(O)
Clc1ccc(c(c1)C(=O)Nc1sc2c(c1C(=O)N)CCCCC2)(N+)(=O)(O)
InChI=1SC17H16ClN3O4Sc1896712(21(24)25)11(89)16(23)201714(15(19)22)104213513(10)2617h68H15H2(H21922)(H2023)
MFCD03374777
ZINC000004892119
ZINC04892119
ZINC4892119
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