Vitas-M small molecule compound
3-[(3-cyano-4,5,6,7,8,9-hexahydrocycloocta[b]thiophen-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK441513
SMILES N#Cc1c(NC(=O)C2C3C=CC(C2C(=O)O)C3)sc2c1CCCCCC2
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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 C20H22N2O3S MW 370.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O3S/c21-10-14-13-5-3-1-2-4-6-15(13)26-19(14)22-18(23)16-11-7-8-12(9-11)17(16)20(24)25/h7-8,11-12,16-17H,1-6,9H2,(H,22,23)(H,24,25)InChIKey
LMIIDBUTDNKZTA-UHFFFAOYSA-NSynonyms
2((3cyano456789hexahydrocycloocta(b)thiophen2yl)carbamoyl)bicyclo(221)hept5ene3carboxylicacid
3((3cyano456789hexahydrocycloocta(b)thiophen2yl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
C1CCCC2=C(CC1)C(=C(S2)NC(=O)C3C4CC(C3C(=O)O)C=C4)C#N
InChI=1SC20H22N2O3Sc2110141353124615(13)2619(14)2218(23)16117812(911)17(16)20(24)25h7811121617H169H2(H2223)(H2425)
MFCD03380413
ZINC000102233810
ZINC000239338961
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