Vitas-M small molecule compound
methyl 2-{[(4,4-dioxido-3-phenyl-5,6-dihydro-1,4-oxathiin-2-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Catalog ID
STK654880
SMILES COC(=O)c1c(sc2c1CCCC2)NC(=O)C1=C(c2ccccc2)S(=O)(=O)CCO1
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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 C21H21NO6S2 MW 447.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO6S2/c1-27-21(24)16-14-9-5-6-10-15(14)29-20(16)22-19(23)17-18(13-7-3-2-4-8-13)30(25,26)12-11-28-17/h2-4,7-8H,5-6,9-12H2,1H3,(H,22,23)InChIKey
CTDLHWPAPQHROQ-UHFFFAOYSA-NSynonyms
1144428-34-11144428341
COC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3=C(S(=O)(=O)CCO3)C4=CC=CC=C4
InChI=1SC21H21NO6S2c12721(24)16149561015(14)2920(16)2219(23)1718(137324813)30(2526)12112817h2478H56912H21H3(H2223)
methyl2(((44dioxido3phenyl56dihydro14oxathiin2yl)carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2((44dioxo5phenyl23dihydro14oxathiine6carbonyl)amino)4567tetrahydro1benzothiophene3carboxylate
methyl2(44dioxido3phenyl56dihydro14oxathiine2carboxamido)4567tetrahydrobenzo(b)thiophene3carboxylate
MFCD12217091
ZINC000032102666
ZINC32102666
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