Vitas-M small molecule compound
6',6'-dimethyl-2'-(prop-2-en-1-ylsulfanyl)-4-(thiophen-2-yl)-3,4,5',6'-tetrahydro-3'H-spiro[chromene-2,4'-pyrimidine]-7,8-diol
Catalog ID
STK683123
SMILES C=CCSC1=NC(C)(C)CC2(N1)CC(c1cccs1)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 C21H24N2O3S2 MW 416.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2O3S2/c1-4-9-28-19-22-20(2,3)12-21(23-19)11-14(16-6-5-10-27-16)13-7-8-15(24)17(25)18(13)26-21/h4-8,10,14,24-25H,1,9,11-12H2,2-3H3,(H,22,23)InChIKey
BQGTWXZGCDNFAW-UHFFFAOYSA-NSynonyms
66dimethyl2(prop2en1ylsulfanyl)4(thiophen2yl)3456tetrahydro3Hspiro(chromene24pyrimidine)78diol
66dimethyl2prop2enylsulfanyl4thiophen2ylspiro(15dihydropyrimidine4234dihydrochromene)78diol
CC1(CC2(CC(C3=C(O2)C(=C(C=C3)O)O)C4=CC=CS4)N=C(N1)SCC=C)C
InChI=1SC21H24N2O3S2c14928192220(23)1221(2319)1114(1665102716)137815(24)17(25)18(13)2621h4810142425H191112H223H3(H2223)
MFCD03048141
ZINC000004686001
ZINC000004686005
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