Vitas-M small molecule compound
6',6'-dimethyl-4-phenyl-2'-(prop-2-en-1-ylsulfanyl)-3,4,5',6'-tetrahydro-3'H-spiro[chromene-2,4'-pyrimidine]-7,8-diol
Catalog ID
STK676988
SMILES C=CCSC1=NC(C)(C)CC2(N1)CC(c1ccccc1)c1c(O2)c(O)c(cc1)O
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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 C23H26N2O3S MW 410.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N2O3S/c1-4-12-29-21-24-22(2,3)14-23(25-21)13-17(15-8-6-5-7-9-15)16-10-11-18(26)19(27)20(16)28-23/h4-11,17,26-27H,1,12-14H2,2-3H3,(H,24,25)InChIKey
IFGKIGVDILAGBM-UHFFFAOYSA-NSynonyms
66dimethyl4phenyl2(prop2en1ylsulfanyl)3456tetrahydro3Hspiro(chromene24pyrimidine)78diol
66dimethyl4phenyl2prop2enylsulfanylspiro(15dihydropyrimidine4234dihydrochromene)78diol
CC1(CC2(CC(C3=C(O2)C(=C(C=C3)O)O)C4=CC=CC=C4)N=C(N1)SCC=C)C
InChI=1SC23H26N2O3Sc141229212422(23)1423(2521)1317(158657915)16101118(26)19(27)20(16)2823h411172627H11214H223H3(H2425)
MFCD02648164
ZINC000005823673
ZINC000005823723
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