Vitas-M small molecule compound
3-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)carbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Catalog ID
STK420507
SMILES N#Cc1c(NC(=O)C2C3C=CC(C2C(=O)O)C3)sc2c1CCCCC2
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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 C19H20N2O3S MW 356.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H20N2O3S/c20-9-13-12-4-2-1-3-5-14(12)25-18(13)21-17(22)15-10-6-7-11(8-10)16(15)19(23)24/h6-7,10-11,15-16H,1-5,8H2,(H,21,22)(H,23,24)InChIKey
VOSIPQAIPKUIDN-UHFFFAOYSA-NSynonyms
2((3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)carbamoyl)bicyclo(221)hept5ene3carboxylicacid
3((3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)carbamoyl)bicyclo(221)hept5ene2carboxylicacid
C1CCC2=C(CC1)SC(=C2C#N)NC(=O)C3C4CC(C3C(=O)O)C=C4
InChI=1SC19H20N2O3Sc20913124213514(12)2518(13)2117(22)15106711(810)16(15)19(23)24h6710111516H158H2(H2122)(H2324)
MFCD01921302
ZINC000100507829
ZINC000239425993
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