Vitas-M small molecule compound
N-(1,3-benzodioxol-5-yl)-2-{[3-(4-methoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
Catalog ID
STK596922
SMILES COc1ccc(cc1)n1c(SCC(=O)Nc2ccc3c(c2)OCO3)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 C26H23N3O5S2 MW 521.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N3O5S2/c1-32-17-9-7-16(8-10-17)29-25(31)23-18-4-2-3-5-21(18)36-24(23)28-26(29)35-13-22(30)27-15-6-11-19-20(12-15)34-14-33-19/h6-12H,2-5,13-14H2,1H3,(H,27,30)InChIKey
WZOIOPDDMDTYRM-UHFFFAOYSA-NSynonyms
618431-92-8618431928
COC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NC4=CC5=C(C=C4)OCO5)SC6=C3CCCC6
InChI=1SC26H23N3O5S2c132179716(81017)2925(31)2318423521(18)3624(23)2826(29)351322(30)27156111920(1215)34143319h612H251314H21H3(H2730)
MFCD03223501
N(13benzodioxol5yl)2((3(4methoxyphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetamide
N(13benzodioxol5yl)2((3(4methoxyphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
N(benzo(d)(13)dioxol5yl)2((3(4methoxyphenyl)4oxo345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetamide
ZINC000002388285
ZINC02388285
ZINC2388285
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