Vitas-M small molecule compound

(5Z)-5-[3-bromo-5-methoxy-4-(prop-2-en-1-yloxy)benzylidene]-1-(4-chlorophenyl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione

Catalog ID
STK190086
SMILES C=CCOc1c(Br)cc(cc1OC)/C=C\1/C(=O)NC(=S)N(C1=O)c1ccc(cc1)Cl

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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 C21H16BrClN2O4S MW 507.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16BrClN2O4S/c1-3-8-29-18-16(22)10-12(11-17(18)28-2)9-15-19(26)24-21(30)25(20(15)27)14-6-4-13(23)5-7-14/h3-7,9-11H,1,8H2,2H3,(H,24,26,30)/b15-9-
InChIKey
BGUVVLVKTUCQKP-DHDCSXOGSA-N
Synonyms

(5Z)5((3bromo5methoxy4prop2enoxyphenyl)methylidene)1(4chlorophenyl)2sulfanylidene13diazinane46dione
(5Z)5(3BROMO5METHOXY4(PROP2EN1YLOXY)BENZYLIDENE)1(4CHLOROPHENYL)2THIOXODIHYDROPYRIMIDINE46(1H5H)DIONE
C=CCOc1c(Br)cc(cc1OC)C=C1C(=O)NC(=S)N(C1=O)c1ccc(cc1)Cl
COC1=C(C(=CC(=C1)C=C2C(=O)NC(=S)N(C2=O)C3=CC=C(C=C3)Cl)Br)OCC=C
InChI=1SC21H16BrClN2O4Sc138291816(22)1012(1117(18)282)91519(26)2421(30)25(20(15)27)146413(23)5714h37911H18H22H3(H242630)b159
MFCD03226383
ZINC000009311692
ZINC09311692
ZINC9311692

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Available files

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