Vitas-M small molecule compound

(5Z)-2-(4-fluorophenyl)-5-[3-methoxy-4-(3-methylbutoxy)benzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one

Catalog ID
STK800636
SMILES COc1cc(ccc1OCCC(C)C)/C=c/1\sc2n(c1=O)nc(n2)c1ccc(cc1)F

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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 C23H22FN3O3S MW 439.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22FN3O3S/c1-14(2)10-11-30-18-9-4-15(12-19(18)29-3)13-20-22(28)27-23(31-20)25-21(26-27)16-5-7-17(24)8-6-16/h4-9,12-14H,10-11H2,1-3H3/b20-13-
InChIKey
HHYYBHAOLCKPGR-MOSHPQCFSA-N
Synonyms
618853-67-1
(5Z)2(4FLUOROPHENYL)5((3METHOXY4(3METHYLBUTOXY)PHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)2(4fluorophenyl)5(3methoxy4(3methylbutoxy)benzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(Z)2(4fluorophenyl)5(4(isopentyloxy)3methoxybenzylidene)thiazolo(32b)(124)triazol6(5H)one
618853671
CC(C)CCOC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)F)S2)OC
COc1cc(ccc1OCCC(C)C)C=c1sc2n(c1=O)nc(n2)c1ccc(cc1)F
InChI=1SC23H22FN3O3Sc114(2)101130189415(1219(18)293)132022(28)2723(3120)2521(2627)165717(24)8616h491214H1011H213H3b2013
MFCD04011279
ZINC000002374074
ZINC02374074
ZINC2374074

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Available files

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