Vitas-M small molecule compound

(5Z)-2-(4-butoxyphenyl)-5-[3-ethoxy-4-(pentyloxy)benzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one

Catalog ID
STK904980
SMILES CCCCCOc1ccc(cc1OCC)/C=c/1\sc2n(c1=O)nc(n2)c1ccc(cc1)OCCCC

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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/c1-4-7-9-17-35-23-15-10-20(18-24(23)33-6-3)19-25-27(32)31-28(36-25)29-26(30-31)21-11-13-22(14-12-21)34-16-8-5-2/h10-15,18-19H,4-9,16-17H2,1-3H3/b25-19-
InChIKey
VPGCRQUVWMDUMI-PLRJNAJWSA-N
Synonyms

(5Z)2(4butoxyphenyl)5((3ethoxy4pentoxyphenyl)methylidene)(13)thiazolo(32b)(124)triazol6one
(5Z)2(4butoxyphenyl)5(3ethoxy4(pentyloxy)benzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCCOC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)OCCCC)S2)OCC
CCCCCOc1ccc(cc1OCC)C=c1sc2n(c1=O)nc(n2)c1ccc(cc1)OCCCC
InChI=1SC28H33N3O4Sc1479173523151020(1824(23)3363)192527(32)3128(3625)2926(3031)21111322(141221)3416852h10151819H491617H213H3b2519
MFCD18076197
ZINC000027022622
ZINC27022622

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Available files

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