Vitas-M small molecule compound
2-(4-{[4-(3-methylphenyl)-5-oxo-4,5,6,7,8,9-hexahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-1-yl]sulfanyl}butyl)-1H-isoindole-1,3(2H)-dione
Catalog ID
STK539687
SMILES Cc1cccc(c1)n1c2nnc(n2c2c(c1=O)c1CCCCc1s2)SCCCCN1C(=O)c2c(C1=O)cccc2
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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 C30H27N5O3S2 MW 569.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27N5O3S2/c1-18-9-8-10-19(17-18)34-27(38)24-22-13-4-5-14-23(22)40-28(24)35-29(34)31-32-30(35)39-16-7-6-15-33-25(36)20-11-2-3-12-21(20)26(33)37/h2-3,8-12,17H,4-7,13-16H2,1H3InChIKey
XWWQYZODSBOUOK-UHFFFAOYSA-NSynonyms
2(4((4(3methylphenyl)5oxo456789hexahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)butyl)1Hisoindole13(2H)dione
2(4((5oxo4(mtolyl)456789hexahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)butyl)isoindoline13dione
CC1=CC(=CC=C1)N2C(=O)C3=C(N4C2=NN=C4SCCCCN5C(=O)C6=CC=CC=C6C5=O)SC7=C3CCCC7
InChI=1SC30H27N5O3S2c118981019(1718)3427(38)242213451423(22)4028(24)3529(34)313230(35)391676153325(36)2011231221(20)26(33)37h2381217H471316H21H3
MFCD03010522
ZINC000001761555
ZINC01761555
ZINC1761555
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