Vitas-M small molecule compound
(5E)-5-{[1-(4-hydroxyphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK187211
SMILES C=CCN1C(=S)NC(=O)/C(=C\c2cc(n(c2C)c2ccc(cc2)O)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 C20H19N3O3S MW 381.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O3S/c1-4-9-22-19(26)17(18(25)21-20(22)27)11-14-10-12(2)23(13(14)3)15-5-7-16(24)8-6-15/h4-8,10-11,24H,1,9H2,2-3H3,(H,21,25,27)/b17-11+InChIKey
BVMZLQNCQAYDJP-GZTJUZNOSA-NSynonyms
(5E)5((1(4HYDROXYPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)1(PROP2EN1YL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)5((1(4HYDROXYPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)1PROP2ENYL2SULFANYLIDENE13DIAZINANE46DIONE
C=CCN1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2ccc(cc2)O)C)C1=O
CC1=CC(=C(N1C2=CC=C(C=C2)O)C)C=C3C(=O)NC(=S)N(C3=O)CC=C
InChI=1SC20H19N3O3Sc1492219(26)17(18(25)2120(22)27)11141012(2)23(13(14)3)155716(24)8615h48101124H19H223H3(H212527)b1711+
MFCD02604991
ZINC000001178248
ZINC01178248
ZINC1178248
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