Vitas-M small molecule compound
3-phenyl-2-{[4-(propan-2-yloxy)benzyl]sulfanyl}-3,5,6,7,8,9-hexahydro-4H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STK996414
SMILES CC(Oc1ccc(cc1)CSc1nc2sc3c(c2c(=O)n1c1ccccc1)CCCCC3)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 C27H28N2O2S2 MW 476.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N2O2S2/c1-18(2)31-21-15-13-19(14-16-21)17-32-27-28-25-24(22-11-7-4-8-12-23(22)33-25)26(30)29(27)20-9-5-3-6-10-20/h3,5-6,9-10,13-16,18H,4,7-8,11-12,17H2,1-2H3InChIKey
DXGRNIQMTATNBD-UHFFFAOYSA-NSynonyms
3phenyl2((4(propan2yloxy)benzyl)sulfanyl)356789hexahydro4Hcyclohepta(45)thieno(23d)pyrimidin4one
3phenyl2((4propan2yloxyphenyl)methylsulfanyl)6789tetrahydro5Hcyclohepta(23)thieno(24b)pyrimidin4one
CC(C)OC1=CC=C(C=C1)CSC2=NC3=C(C4=C(S3)CCCCC4)C(=O)N2C5=CC=CC=C5
InChI=1SC27H28N2O2S2c118(2)3121151319(141621)173227282524(22117481223(22)3325)26(30)29(27)2095361020h356910131618H478111217H212H3
MFCD02631180
ZINC000008432525
ZINC08432525
ZINC8432525
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