Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-yl)-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)prop-2-enamide
Catalog ID
STK467200
SMILES N#Cc1c(NC(=O)/C=C/c2ccc3c(c2)OCO3)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 C20H18N2O3S MW 366.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O3S/c21-11-15-14-4-2-1-3-5-18(14)26-20(15)22-19(23)9-7-13-6-8-16-17(10-13)25-12-24-16/h6-10H,1-5,12H2,(H,22,23)/b9-7+InChIKey
BDCJWGVDRMKJHM-VQHVLOKHSA-NSynonyms
(2E)3(13benzodioxol5yl)N(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)prop2enamide
(E)3(13benzodioxol5yl)N(3cyano5678tetrahydro4Hcyclohepta(b)thiophen2yl)prop2enamide
C1CCC2=C(CC1)SC(=C2C#N)NC(=O)C=CC3=CC4=C(C=C3)OCO4
InChI=1SC20H18N2O3Sc211115144213518(14)2620(15)2219(23)9713681617(1013)25122416h610H1512H2(H2223)b97+
MFCD03375796
N#Cc1c(NC(=O)C=Cc2ccc3c(c2)OCO3)sc2c1CCCCC2
ZINC000006335093
ZINC06335093
ZINC6335093
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