Vitas-M small molecule compound
3-(4-fluorobenzyl)-2-{[2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl]sulfanyl}quinazolin-4(3H)-one
Catalog ID
STL014771
SMILES Fc1ccc(cc1)Cn1c(SCC(=O)N2CCOc3c2cc(C)cc3)nc2c(c1=O)cccc2
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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 C26H22FN3O3S MW 475.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22FN3O3S/c1-17-6-11-23-22(14-17)29(12-13-33-23)24(31)16-34-26-28-21-5-3-2-4-20(21)25(32)30(26)15-18-7-9-19(27)10-8-18/h2-11,14H,12-13,15-16H2,1H3InChIKey
OGSJBXIXHKONPB-UHFFFAOYSA-NSynonyms
3((4fluorophenyl)methyl)2(2(6methyl23dihydro14benzoxazin4yl)2oxoethyl)sulfanylquinazolin4one
3(4fluorobenzyl)2((2(6methyl23dihydro4H14benzoxazin4yl)2oxoethyl)sulfanyl)quinazolin4(3H)one
CC1=CC2=C(C=C1)OCCN2C(=O)CSC3=NC4=CC=CC=C4C(=O)N3CC5=CC=C(C=C5)F
InChI=1SC26H22FN3O3Sc1176112322(1417)29(12133323)24(31)1634262821532420(21)25(32)30(26)15187919(27)10818h21114H12131516H21H3
MFCD18186646
ZINC000051357566
ZINC51357566
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