Vitas-M small molecule compound
methyl 2-{[(2E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino}-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Catalog ID
STK401688
SMILES COC(=O)c1c(NC(=O)/C=C/c2ccc3c(c2)OCO3)sc2c1CCC2
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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 C19H17NO5S MW 371.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17NO5S/c1-23-19(22)17-12-3-2-4-15(12)26-18(17)20-16(21)8-6-11-5-7-13-14(9-11)25-10-24-13/h5-9H,2-4,10H2,1H3,(H,20,21)/b8-6+InChIKey
YLPWZUJYWADIBY-SOFGYWHQSA-NSynonyms
COC(=O)C1=C(SC2=C1CCC2)NC(=O)C=CC3=CC4=C(C=C3)OCO4
COC(=O)c1c(NC(=O)C=Cc2ccc3c(c2)OCO3)sc2c1CCC2
InChI=1SC19H17NO5Sc12319(22)171232415(12)2618(17)2016(21)8611571314(911)25102413h59H2410H21H3(H2021)b86+
methyl2(((2E)3(13benzodioxol5yl)prop2enoyl)amino)56dihydro4Hcyclopenta(b)thiophene3carboxylate
METHYL2(((E)3(13BENZODIOXOL5YL)PROP2ENOYL)AMINO)56DIHYDRO4HCYCLOPENTA(B)THIOPHENE3CARBOXYLATE
METHYL2((2E)3(2HBENZO(34D)13DIOXOLAN5YL)PROP2ENOYLAMINO)456TRIHYDROCYCLOPENTA(21B)THIOPHENE3CARBOXYLATE
MFCD01835079
ZINC000000669371
ZINC00669371
ZINC669371
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