Vitas-M small molecule compound
methyl 2-{[(1-oxo-1H-isochromen-3-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK338190
SMILES COC(=O)c1c(NC(=O)c2cc3ccccc3c(=O)o2)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 C20H17NO5S MW 383.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17NO5S/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/h2-3,6-7,10H,4-5,8-9H2,1H3,(H,21,22)InChIKey
IXJHLZLNQIGLFH-UHFFFAOYSA-NSynonyms
853891-53-9853891539
COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=CC4=CC=CC=C4C(=O)O3
InChI=1SC20H17NO5Sc12520(24)1613845915(13)2718(16)2117(22)141011623712(11)19(23)2614h236710H4589H21H3(H2122)
methyl2(((1oxo1Hisochromen3yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((1oxoisochromene3carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
MFCD06438895
ZINC000004248125
ZINC04248125
ZINC4248125
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