Vitas-M small molecule compound
{2-[(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)amino]-2-oxoethoxy}acetic acid
Catalog ID
STK472039
SMILES N#Cc1c(NC(=O)COCC(=O)O)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 C14H16N2O4S MW 308.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H16N2O4S/c15-6-10-9-4-2-1-3-5-11(9)21-14(10)16-12(17)7-20-8-13(18)19/h1-5,7-8H2,(H,16,17)(H,18,19)InChIKey
JBSGBYMFRDNEHM-UHFFFAOYSA-NSynonyms
(2((3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)amino)2oxoethoxy)aceticacid
2(2((3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)amino)2oxoethoxy)aceticacid
C1CCC2=C(CC1)SC(=C2C#N)NC(=O)COCC(=O)O
InChI=1SC14H16N2O4Sc1561094213511(9)2114(10)1612(17)720813(18)19h1578H2(H1617)(H1819)
MFCD06060292
ZINC000017031713
ZINC17031713
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