Vitas-M small molecule compound
methyl 2-{[(1-oxo-3,4-dihydro-1H-isochromen-3-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK867560
SMILES COC(=O)c1c(NC(=O)C2OC(=O)c3c(C2)cccc3)sc2c1CCCC2
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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 C20H19NO5S MW 385.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19NO5S/c1-25-20(24)16-13-8-4-5-9-15(13)27-18(16)21-17(22)14-10-11-6-2-3-7-12(11)19(23)26-14/h2-3,6-7,14H,4-5,8-10H2,1H3,(H,21,22)InChIKey
RZHQKEHUOJBXON-UHFFFAOYSA-NSynonyms
868154-26-1868154261
COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3CC4=CC=CC=C4C(=O)O3
InChI=1SC20H19NO5Sc12520(24)1613845915(13)2718(16)2117(22)141011623712(11)19(23)2614h236714H45810H21H3(H2122)
methyl2(((1oxo34dihydro1Hisochromen3yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((1oxo34dihydroisochromene3carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(1oxoisochroman3carboxamido)4567tetrahydrobenzo(b)thiophene3carboxylate
MFCD05885070
ZINC000002708383
ZINC000002708385
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