Vitas-M small molecule compound

(5E)-5-{[1-(2,6-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(prop-2-en-1-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STK187199
SMILES C=CCN1C(=S)NC(=O)/C(=C\c2cc(n(c2C)c2c(C)cccc2C)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/c1-6-10-24-21(27)18(20(26)23-22(24)28)12-17-11-15(4)25(16(17)5)19-13(2)8-7-9-14(19)3/h6-9,11-12H,1,10H2,2-5H3,(H,23,26,28)/b18-12+
InChIKey
AWCNONBOPHMXHX-LDADJPATSA-N
Synonyms
428824-11-7
(5E)5((1(26DIMETHYLPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)1(PROP2EN1YL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5E)5((1(26DIMETHYLPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)1PROP2ENYL2SULFANYLIDENE13DIAZINANE46DIONE
428824117
C=CCN1C(=S)NC(=O)C(=Cc2cc(n(c2C)c2c(C)cccc2C)C)C1=O
CC1=C(C(=CC=C1)C)N2C(=CC(=C2C)C=C3C(=O)NC(=S)N(C3=O)CC=C)C
InChI=1SC22H23N3O2Sc16102421(27)18(20(26)2322(24)28)12171115(4)25(16(17)5)1913(2)87914(19)3h691112H110H225H3(H232628)b1812+
MFCD02605225
ZINC000001175487
ZINC01175487
ZINC1175487

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Available files

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