Vitas-M small molecule compound

N-(1,3-benzodioxol-5-yl)-2-{[3-(4-methylphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide

Catalog ID
STK055467
SMILES O=C(Nc1ccc2c(c1)OCO2)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CCCC3

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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 C26H23N3O4S2 MW 505.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N3O4S2/c1-15-6-9-17(10-7-15)29-25(31)23-18-4-2-3-5-21(18)35-24(23)28-26(29)34-13-22(30)27-16-8-11-19-20(12-16)33-14-32-19/h6-12H,2-5,13-14H2,1H3,(H,27,30)
InChIKey
XZHRGBSHDBXOQC-UHFFFAOYSA-N
Synonyms
499124-18-4
499124184
CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)NC4=CC5=C(C=C4)OCO5)SC6=C3CCCC6
InChI=1SC26H23N3O4S2c1156917(10715)2925(31)2318423521(18)3524(23)2826(29)341322(30)27168111920(1216)33143219h612H251314H21H3(H2730)
MFCD03224276
N(13benzodioxol5yl)2((3(4methylphenyl)4oxo345678hexahydro(1)benzothieno(23d)pyrimidin2yl)sulfanyl)acetamide
N(13benzodioxol5yl)2((3(4methylphenyl)4oxo5678tetrahydro(1)benzothiolo(23d)pyrimidin2yl)sulfanyl)acetamide
N(benzo(d)(13)dioxol5yl)2((4oxo3(ptolyl)345678hexahydrobenzo(45)thieno(23d)pyrimidin2yl)thio)acetamide
O=C(Nc1ccc2c(c1)OCO2)CSc1nc2sc3c(c2c(=O)n1c1ccc(cc1)C)CCCC3
STK055467
ZINC000001261190
ZINC01261190
ZINC1261190

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Available files

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