Vitas-M small molecule compound
N-benzyl-2-{[6,6-dimethyl-3-(3-methylphenyl)-4-oxo-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl]sulfanyl}propanamide
Catalog ID
STK540406
SMILES O=C(C(Sc1nc2sc3c(c2c(=O)n1c1cccc(c1)C)CC(OC3)(C)C)C)NCc1ccccc1
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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 C28H29N3O3S2 MW 519.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29N3O3S2/c1-17-9-8-12-20(13-17)31-26(33)23-21-14-28(3,4)34-16-22(21)36-25(23)30-27(31)35-18(2)24(32)29-15-19-10-6-5-7-11-19/h5-13,18H,14-16H2,1-4H3,(H,29,32)InChIKey
LALHTFNSUOCSPT-UHFFFAOYSA-NSynonyms
384796-29-6384796296
CC1=CC(=CC=C1)N2C(=O)C3=C(N=C2SC(C)C(=O)NCC4=CC=CC=C4)SC5=C3CC(OC5)(C)C
InChI=1SC28H29N3O3S2c117981220(1317)3126(33)23211428(34)341622(21)3625(23)3027(31)3518(2)24(32)291519106571119h51318H1416H214H3(H2932)
MFCD03284333
Nbenzyl2((66dimethyl3(3methylphenyl)4oxo3568tetrahydro4Hpyrano(4345)thieno(23d)pyrimidin2yl)sulfanyl)propanamide
Nbenzyl2((66dimethyl3(3methylphenyl)4oxo58dihydropyrano(23)thieno(24b)pyrimidin2yl)sulfanyl)propanamide
Nbenzyl2((66dimethyl4oxo3(mtolyl)4568tetrahydro3Hpyrano(4345)thieno(23d)pyrimidin2yl)thio)propanamide
ZINC000001764115
ZINC000001764118
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