Vitas-M small molecule compound
methyl [(4-benzyl-8-tert-butyl-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]acetate
Catalog ID
STK698863
SMILES COC(=O)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 C25H28N4O3S2 MW 496.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N4O3S2/c1-25(2,3)16-10-11-17-18(12-16)34-22-20(17)21(31)28(13-15-8-6-5-7-9-15)23-26-27-24(29(22)23)33-14-19(30)32-4/h5-9,16H,10-14H2,1-4H3InChIKey
VPFQPOSFLHBYSL-UHFFFAOYSA-NSynonyms
373373-50-3373373503
CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)N(C4=NN=C(N34)SCC(=O)OC)CC5=CC=CC=C5
InChI=1SC25H28N4O3S2c125(23)1610111718(1216)342220(17)21(31)28(13158657915)23262724(29(22)23)331419(30)324h5916H1014H214H3
methyl((4benzyl8tertbutyl5oxo456789hexahydro(1)benzothieno(32e)(124)triazolo(43a)pyrimidin1yl)sulfanyl)acetate
methyl2((4benzyl8(tertbutyl)5oxo456789hexahydrobenzo(45)thieno(32e)(124)triazolo(43a)pyrimidin1yl)thio)acetate
MFCD01897877
ZINC000002280563
ZINC000002280564
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