Vitas-M small molecule compound
(5Z)-5-{[1-(3,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Catalog ID
STK191684
SMILES C=CCN1C(=S)NC(=O)/C(=C/c2cc(n(c2C)c2cc(C)cc(c2)C)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 C22H23N3O2S MW 393.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23N3O2S/c1-6-7-24-21(27)19(20(26)23-22(24)28)12-17-11-15(4)25(16(17)5)18-9-13(2)8-14(3)10-18/h6,8-12H,1,7H2,2-5H3,(H,23,26,28)/b19-12-InChIKey
BGDFXXKUYPRLJD-UNOMPAQXSA-NSynonyms
(5Z)5((1(35DIMETHYLPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)1(PROP2EN1YL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5Z)5((1(35DIMETHYLPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)1PROP2ENYL2SULFANYLIDENE13DIAZINANE46DIONE
C=CCN1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2cc(C)cc(c2)C)C)C1=O
CC1=CC(=CC(=C1)N2C(=CC(=C2C)C=C3C(=O)NC(=S)N(C3=O)CC=C)C)C
InChI=1SC22H23N3O2Sc1672421(27)19(20(26)2322(24)28)12171115(4)25(16(17)5)18913(2)814(3)1018h6812H17H225H3(H232628)b1912
MFCD02628931
ZINC000012362906
ZINC12362906
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