Vitas-M small molecule compound
(5Z)-5-{[1-(2-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK046606
SMILES C=CCN1C(=S)NC(=O)/C(=C/c2cc(n(c2C)c2ccccc2F)C)/C1=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 C20H18FN3O2S MW 383.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18FN3O2S/c1-4-9-23-19(26)15(18(25)22-20(23)27)11-14-10-12(2)24(13(14)3)17-8-6-5-7-16(17)21/h4-8,10-11H,1,9H2,2-3H3,(H,22,25,27)/b15-11-InChIKey
WVBCAQQVBDWYGX-PTNGSMBKSA-NSynonyms
(5Z)5((1(2FLUOROPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)1(PROP2EN1YL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5Z)5((1(2FLUOROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)1PROP2ENYL2SULFANYLIDENE13DIAZINANE46DIONE
C=CCN1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2ccccc2F)C)C1=O
CC1=CC(=C(N1C2=CC=CC=C2F)C)C=C3C(=O)NC(=S)N(C3=O)CC=C
InChI=1SC20H18FN3O2Sc1492319(26)15(18(25)2220(23)27)11141012(2)24(13(14)3)17865716(17)21h481011H19H223H3(H222527)b1511
MFCD08050901
STK046606
ZINC000013943122
ZINC13943122
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