Vitas-M small molecule compound
1-[(4-methoxybenzyl)sulfanyl]-7,7-dimethyl-4-(3-methylphenyl)-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
STL235638
SMILES COc1ccc(cc1)CSc1nnc2n1c1sc3c(c1c(=O)n2c1cccc(c1)C)CC(OC3)(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 C27H26N4O3S2 MW 518.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4O3S2/c1-16-6-5-7-18(12-16)30-23(32)22-20-13-27(2,3)34-14-21(20)36-24(22)31-25(30)28-29-26(31)35-15-17-8-10-19(33-4)11-9-17/h5-12H,13-15H2,1-4H3InChIKey
WSLJOXMUSGHTHM-UHFFFAOYSA-NSynonyms
500274-09-91((4methoxybenzyl)sulfanyl)77dimethyl4(3methylphenyl)69dihydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1((4methoxybenzyl)thio)77dimethyl4(mtolyl)67dihydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(9H)one
500274099
CC1=CC(=CC=C1)N2C(=O)C3=C(N4C2=NN=C4SCC5=CC=C(C=C5)OC)SC6=C3CC(OC6)(C)C
InChI=1SC27H26N4O3S2c11665718(1216)3023(32)22201327(23)341421(20)3624(22)3125(30)282926(31)35151781019(334)11917h512H1315H214H3
MFCD03303038
ZINC000002353880
ZINC02353880
ZINC2353880
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