Vitas-M small molecule compound
(5Z)-2-(4-butoxyphenyl)-5-[3-ethoxy-4-(3-methylbutoxy)benzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK904984
SMILES CCCCOc1ccc(cc1)c1nc2n(n1)c(=O)/c(=C/c1ccc(c(c1)OCC)OCCC(C)C)/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 C28H33N3O4S MW 507.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H33N3O4S/c1-5-7-15-34-22-11-9-21(10-12-22)26-29-28-31(30-26)27(32)25(36-28)18-20-8-13-23(24(17-20)33-6-2)35-16-14-19(3)4/h8-13,17-19H,5-7,14-16H2,1-4H3/b25-18-InChIKey
QYSULLAONMXZBZ-BWAHOGKJSA-NSynonyms
(5Z)2(4butoxyphenyl)5((3ethoxy4(3methylbutoxy)phenyl)methylidene)(13)thiazolo(32b)(124)triazol6one
(5Z)2(4butoxyphenyl)5(3ethoxy4(3methylbutoxy)benzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCOC1=CC=C(C=C1)C2=NN3C(=O)C(=CC4=CC(=C(C=C4)OCCC(C)C)OCC)SC3=N2
CCCCOc1ccc(cc1)c1nc2n(n1)c(=O)c(=Cc1ccc(c(c1)OCC)OCCC(C)C)s2
InChI=1SC28H33N3O4Sc15715342211921(101222)26292831(3026)27(32)25(3628)182081323(24(1720)3362)35161419(3)4h8131719H571416H214H3b2518
MFCD18076201
ZINC000027022638
ZINC27022638
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