Vitas-M small molecule compound
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-(4-ethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Catalog ID
STL315758
SMILES CCOc1ccc(cc1)n1c(SCC(=O)Nc2ccc3c(c2)OCCO3)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 C28H27N3O5S2 MW 549.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O5S2/c1-2-34-19-10-8-18(9-11-19)31-27(33)25-20-5-3-4-6-23(20)38-26(25)30-28(31)37-16-24(32)29-17-7-12-21-22(15-17)36-14-13-35-21/h7-12,15H,2-6,13-14,16H2,1H3,(H,29,32)InChIKey
SEKDHXLVSAIHFW-UHFFFAOYSA-NSynonyms
613226-61-2613226612
CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NC4=CC5=C(C=C4)OCCO5)SC6=C3CCCC6
InChI=1SC28H27N3O5S2c12341910818(91119)3127(33)2520534623(20)3826(25)3028(31)371624(32)29177122122(1517)3614133521h71215H26131416H21H3(H2932)
MFCD03224520
N(23dihydro14benzodioxin6yl)2((3(4ethoxyphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetamide
N(23dihydro14benzodioxin6yl)2((3(4ethoxyphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
N(23dihydrobenzo(b)(14)dioxin6yl)2((3(4ethoxyphenyl)4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetamide
ZINC000001088272
ZINC1088272
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