Vitas-M small molecule compound
4-oxo-4-{[3-(phenylcarbamoyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl]amino}butanoic acid
Catalog ID
STK011811
SMILES OC(=O)CCC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1)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 C20H22N2O4S MW 386.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O4S/c23-16(11-12-17(24)25)22-20-18(14-9-5-2-6-10-15(14)27-20)19(26)21-13-7-3-1-4-8-13/h1,3-4,7-8H,2,5-6,9-12H2,(H,21,26)(H,22,23)(H,24,25)InChIKey
ITRHUIJAZOOGTM-UHFFFAOYSA-NSynonyms
4oxo4((3(phenylcarbamoyl)5678tetrahydro4Hcyclohepta(b)thiophen2yl)amino)butanoicacid
C1CCC2=C(CC1)SC(=C2C(=O)NC3=CC=CC=C3)NC(=O)CCC(=O)O
InChI=1SC20H22N2O4Sc2316(111217(24)25)222018(1495261015(14)2720)19(26)21137314813h13478H256912H2(H2126)(H2223)(H2425)
MFCD01926330
OC(=O)CCC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1)CCCCC2
STK011811
ZINC000004551404
ZINC4551404
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