Vitas-M small molecule compound

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

Catalog ID
STK724979
SMILES CCOc1ccc(cc1)N1CN=c2n(C1)c(=O)/c(=C/c1cccc(c1)Cl)/s2

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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 C20H18ClN3O2S MW 399.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClN3O2S/c1-2-26-17-8-6-16(7-9-17)23-12-22-20-24(13-23)19(25)18(27-20)11-14-4-3-5-15(21)10-14/h3-11H,2,12-13H2,1H3/b18-11-
InChIKey
KGQZISCJYAZFHI-WQRHYEAKSA-N
Synonyms
836626-45-0
(7Z)7((3CHLOROPHENYL)METHYLIDENE)3(4ETHOXYPHENYL)24DIHYDRO(13)THIAZOLO(32A)(135)TRIAZIN6ONE
(7Z)7(3chlorobenzylidene)3(4ethoxyphenyl)34dihydro2H(13)thiazolo(32a)(135)triazin6(7H)one
(Z)7(3chlorobenzylidene)3(4ethoxyphenyl)34dihydro2Hthiazolo(32a)(135)triazin6(7H)one
836626450
CCOC1=CC=C(C=C1)N2CN=C3N(C2)C(=O)C(=CC4=CC(=CC=C4)Cl)S3
CCOc1ccc(cc1)N1CN=c2n(C1)c(=O)c(=Cc1cccc(c1)Cl)s2
InChI=1SC20H18ClN3O2Sc1226178616(7917)2312222024(1323)19(25)18(2720)111443515(21)1014h311H21213H21H3b1811
MFCD03688292
ZINC000005055116
ZINC05055116
ZINC5055116

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Available files

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