Vitas-M small molecule compound

(5Z)-2-(4-butoxyphenyl)-5-[4-(heptyloxy)-3-methoxybenzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one

Catalog ID
STK904979
SMILES CCCCCCCOc1ccc(cc1OC)/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 C29H35N3O4S MW 521.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H35N3O4S/c1-4-6-8-9-10-18-36-24-16-11-21(19-25(24)34-3)20-26-28(33)32-29(37-26)30-27(31-32)22-12-14-23(15-13-22)35-17-7-5-2/h11-16,19-20H,4-10,17-18H2,1-3H3/b26-20-
InChIKey
HCSRXNNSXISUDJ-QOMWVZHYSA-N
Synonyms

(5Z)2(4butoxyphenyl)5((4heptoxy3methoxyphenyl)methylidene)(13)thiazolo(32b)(124)triazol6one
(5Z)2(4butoxyphenyl)5(4(heptyloxy)3methoxybenzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCCCCOC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)OCCCC)S2)OC
CCCCCCCOc1ccc(cc1OC)C=c1sc2n(c1=O)nc(n2)c1ccc(cc1)OCCCC
InChI=1SC29H35N3O4Sc1468910183624161121(1925(24)343)202628(33)3229(3726)3027(3132)22121423(151322)3517752h11161920H4101718H213H3b2620
MFCD18076196
ZINC000097947372
ZINC97947372

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Available files

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