Vitas-M small molecule compound
1-{[2-(4-fluorophenyl)-2-oxoethyl]sulfanyl}-4-(3-methylphenyl)-7-(propan-2-yl)-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
STK549428
SMILES Cc1cccc(c1)n1c(=O)c2c3CC(OCc3sc2n2c1nnc2SCC(=O)c1ccc(cc1)F)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 C28H25FN4O3S2 MW 548.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25FN4O3S2/c1-15(2)22-12-20-23(13-36-22)38-26-24(20)25(35)32(19-6-4-5-16(3)11-19)27-30-31-28(33(26)27)37-14-21(34)17-7-9-18(29)10-8-17/h4-11,15,22H,12-14H2,1-3H3InChIKey
KROVQPNDWVEPAM-UHFFFAOYSA-NSynonyms
840461-37-21((2(4fluorophenyl)2oxoethyl)sulfanyl)4(3methylphenyl)7(propan2yl)69dihydro7Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(4H)one
1((2(4fluorophenyl)2oxoethyl)thio)7isopropyl4(mtolyl)67dihydro4Hpyrano(4345)thieno(32e)(124)triazolo(43a)pyrimidin5(9H)one
840461372
CC1=CC(=CC=C1)N2C(=O)C3=C(N4C2=NN=C4SCC(=O)C5=CC=C(C=C5)F)SC6=C3CC(OC6)C(C)C
InChI=1SC28H25FN4O3S2c115(2)22122023(133622)382624(20)25(35)32(1964516(3)1119)27303128(33(26)27)371421(34)177918(29)10817h4111522H1214H213H3
MFCD03695284
ZINC000002258082
ZINC000002258083
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