Vitas-M small molecule compound

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

Catalog ID
STK819220
SMILES CCCCCCCOc1ccc(cc1OC)/C=c/1\sc2n(c1=O)nc(n2)c1ccc(cc1)C(C)(C)C

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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 C29H35N3O3S MW 505.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H35N3O3S/c1-6-7-8-9-10-17-35-23-16-11-20(18-24(23)34-5)19-25-27(33)32-28(36-25)30-26(31-32)21-12-14-22(15-13-21)29(2,3)4/h11-16,18-19H,6-10,17H2,1-5H3/b25-19-
InChIKey
WRZMGSUHJVQIPC-PLRJNAJWSA-N
Synonyms
861121-46-2
(5Z)2(4TERTBUTYLPHENYL)5((4HEPTOXY3METHOXYPHENYL)METHYLIDENE)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5Z)2(4tertbutylphenyl)5(4(heptyloxy)3methoxybenzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
(Z)2(4(tertbutyl)phenyl)5(4(heptyloxy)3methoxybenzylidene)thiazolo(32b)(124)triazol6(5H)one
861121462
CCCCCCCOC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)C(C)(C)C)S2)OC
CCCCCCCOc1ccc(cc1OC)C=c1sc2n(c1=O)nc(n2)c1ccc(cc1)C(C)(C)C
InChI=1SC29H35N3O3Sc1678910173523161120(1824(23)345)192527(33)3228(3625)3026(3132)21121422(151321)29(23)4h11161819H61017H215H3b2519
MFCD03663118
ZINC000100906611
ZINC100906611

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Available files

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