Vitas-M small molecule compound
2-methoxyphenyl 2-{[4-oxo-3-(prop-2-en-1-yl)-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}ethanesulfonate
Catalog ID
STK369388
SMILES C=CCn1c(SCCS(=O)(=O)Oc2ccccc2OC)nc2c(c1=O)c1CCCCc1s2
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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 C22H24N2O5S3 MW 492.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N2O5S3/c1-3-12-24-21(25)19-15-8-4-7-11-18(15)31-20(19)23-22(24)30-13-14-32(26,27)29-17-10-6-5-9-16(17)28-2/h3,5-6,9-10H,1,4,7-8,11-14H2,2H3InChIKey
HBAHQNDEYLGFLV-UHFFFAOYSA-NSynonyms
(2methoxyphenyl)2((4oxo3prop2enyl5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)ethanesulfonate
2methoxyphenyl2((4oxo3(prop2en1yl)345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)ethanesulfonate
COC1=CC=CC=C1OS(=O)(=O)CCSC2=NC3=C(C4=C(S3)CCCC4)C(=O)N2CC=C
InChI=1SC22H24N2O5S3c13122421(25)19158471118(15)3120(19)2322(24)30131432(2627)29171065916(17)282h356910H14781114H22H3
MFCD00331515
ZINC000003100834
ZINC03100834
ZINC3100834
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