Vitas-M small molecule compound

(7Z)-3-(4-chlorophenyl)-7-(3,4,5-trimethoxybenzylidene)-3,4-dihydro-2H-[1,3]thiazolo[3,2-a][1,3,5]triazin-6(7H)-one

Catalog ID
STK724889
SMILES COc1cc(cc(c1OC)OC)/C=c/1\sc2=NCN(Cn2c1=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 C21H20ClN3O4S MW 445.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20ClN3O4S/c1-27-16-8-13(9-17(28-2)19(16)29-3)10-18-20(26)25-12-24(11-23-21(25)30-18)15-6-4-14(22)5-7-15/h4-10H,11-12H2,1-3H3/b18-10-
InChIKey
XWEWSYNXXUERJZ-ZDLGFXPLSA-N
Synonyms
836638-65-4
(7Z)3(4CHLOROPHENYL)7((345TRIMETHOXYPHENYL)METHYLIDENE)24DIHYDRO(13)THIAZOLO(32A)(135)TRIAZIN6ONE
(7Z)3(4chlorophenyl)7(345trimethoxybenzylidene)34dihydro2H(13)thiazolo(32a)(135)triazin6(7H)one
(Z)3(4chlorophenyl)7(345trimethoxybenzylidene)34dihydro2Hthiazolo(32a)(135)triazin6(7H)one
836638654
COC1=CC(=CC(=C1OC)OC)C=C2C(=O)N3CN(CN=C3S2)C4=CC=C(C=C4)Cl
COc1cc(cc(c1OC)OC)C=c1sc2=NCN(Cn2c1=O)c1ccc(cc1)Cl
InChI=1SC21H20ClN3O4Sc12716813(917(282)19(16)293)101820(26)251224(112321(25)3018)156414(22)5715h410H1112H213H3b1810
MFCD03690151
ZINC000002251155
ZINC02251155
ZINC2251155

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Available files

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