Vitas-M small molecule compound
7,7-dimethyl-4-(3-methylphenyl)-1-{[4-(propan-2-yloxy)benzyl]sulfanyl}-6,9-dihydro-7H-pyrano[4',3':4,5]thieno[3,2-e][1,2,4]triazolo[4,3-a]pyrimidin-5(4H)-one
Catalog ID
STK721033
SMILES CC(Oc1ccc(cc1)CSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)C)CC(OC3)(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 C29H30N4O3S2 MW 546.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N4O3S2/c1-17(2)36-21-11-9-19(10-12-21)16-37-28-31-30-27-32(20-8-6-7-18(3)13-20)25(34)24-22-14-29(4,5)35-15-23(22)38-26(24)33(27)28/h6-13,17H,14-16H2,1-5H3InChIKey
DIVFNWOZKXIXTA-UHFFFAOYSA-NSynonyms
497231-58-01((4isopropoxybenzyl)thio)77dimethyl4(mtolyl)67dihydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(9H)one
497231580
77dimethyl4(3methylphenyl)1((4(propan2yloxy)benzyl)sulfanyl)69dihydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
CC1=CC(=CC=C1)N2C(=O)C3=C(N4C2=NN=C4SCC5=CC=C(C=C5)OC(C)C)SC6=C3CC(OC6)(C)C
InChI=1SC29H30N4O3S2c117(2)362111919(101221)16372831302732(2086718(3)1320)25(34)24221429(45)351523(22)3826(24)33(27)28h61317H1416H215H3
MFCD03300710
ZINC000001792536
ZINC01792536
ZINC1792536
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