Vitas-M small molecule compound
4-benzyl-8-tert-butyl-1-[(3,4-dichlorobenzyl)sulfanyl]-6,7,8,9-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK524421
SMILES Clc1ccc(cc1Cl)CSc1nnc2n1c1sc3c(c1c(=O)n2Cc1ccccc1)CCC(C3)C(C)(C)C
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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 C29H28Cl2N4OS2 MW 583.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28Cl2N4OS2/c1-29(2,3)19-10-11-20-23(14-19)38-26-24(20)25(36)34(15-17-7-5-4-6-8-17)27-32-33-28(35(26)27)37-16-18-9-12-21(30)22(31)13-18/h4-9,12-13,19H,10-11,14-16H2,1-3H3InChIKey
BCQPQZCOIILRMS-UHFFFAOYSA-NSynonyms
4benzyl8(tertbutyl)1((34dichlorobenzyl)thio)6789tetrahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
4benzyl8tertbutyl1((34dichlorobenzyl)sulfanyl)6789tetrahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)N(C4=NN=C(N34)SCC5=CC(=C(C=C5)Cl)Cl)CC6=CC=CC=C6
InChI=1SC29H28Cl2N4OS2c129(23)1910112023(1419)382624(20)25(36)34(15177546817)27323328(35(26)27)37161891221(30)22(31)1318h49121319H10111416H213H3
MFCD01956794
ZINC000001834708
ZINC000001834709
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