Vitas-M small molecule compound

(5Z)-5-{[1-(1,3-benzodioxol-5-yl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-phenyl-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STK190009
SMILES O=C1NC(=S)N(C(=O)/C/1=C\c1cc(n(c1C)c1ccc2c(c1)OCO2)C)c1ccccc1

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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 C24H19N3O4S MW 445.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19N3O4S/c1-14-10-16(15(2)26(14)18-8-9-20-21(12-18)31-13-30-20)11-19-22(28)25-24(32)27(23(19)29)17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H,25,28,32)/b19-11-
InChIKey
FLDDQXSSLPIEEH-ODLFYWEKSA-N
Synonyms

(5Z)5((1(13BENZODIOXOL5YL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)1PHENYL2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
(5Z)5((1(13BENZODIOXOL5YL)25DIMETHYLPYRROL3YL)METHYLIDENE)1PHENYL2SULFANYLIDENE13DIAZINANE46DIONE
CC1=CC(=C(N1C2=CC3=C(C=C2)OCO3)C)C=C4C(=O)NC(=S)N(C4=O)C5=CC=CC=C5
InChI=1SC24H19N3O4Sc1141016(15(2)26(14)18892021(1218)31133020)111922(28)2524(32)27(23(19)29)176435717h312H13H212H3(H252832)b1911
MFCD03228194
O=C1NC(=S)N(C(=O)C1=Cc1cc(n(c1C)c1ccc2c(c1)OCO2)C)c1ccccc1
ZINC000015012636
ZINC15012636

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Available files

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