Vitas-M small molecule compound
2-[(4-chlorobenzyl)sulfanyl]-6,6-dimethyl-3-(prop-2-en-1-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
Catalog ID
STK831071
SMILES C=CCn1c(SCc2ccc(cc2)Cl)nc2c(c1=O)c1CC(C)(C)OCc1s2
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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 C21H21ClN2O2S2 MW 432.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN2O2S2/c1-4-9-24-19(25)17-15-10-21(2,3)26-11-16(15)28-18(17)23-20(24)27-12-13-5-7-14(22)8-6-13/h4-8H,1,9-12H2,2-3H3InChIKey
HPVSQFHBJZHINM-UHFFFAOYSA-NSynonyms
351004-96-12((4chlorobenzyl)sulfanyl)66dimethyl3(prop2en1yl)3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin4one
2((4chlorophenyl)methylsulfanyl)66dimethyl3prop2enyl58dihydropyrano(23)thieno(24b)pyrimidin4one
351004961
3allyl2((4chlorobenzyl)thio)66dimethyl56dihydro3Hpyrano(4345)thieno(23d)pyrimidin4(8H)one
CC1(CC2=C(CO1)SC3=C2C(=O)N(C(=N3)SCC4=CC=C(C=C4)Cl)CC=C)C
InChI=1SC21H21ClN2O2S2c1492419(25)17151021(23)261116(15)2818(17)2320(24)2712135714(22)8613h48H1912H223H3
MFCD01950142
ZINC000001889305
ZINC01889305
ZINC1889305
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