Vitas-M small molecule compound
(5Z)-2-(4-butoxyphenyl)-5-[3-methoxy-4-(octyloxy)benzylidene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one
Catalog ID
STK904978
SMILES CCCCCCCCOc1ccc(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 C30H37N3O4S MW 535.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H37N3O4S/c1-4-6-8-9-10-11-19-37-25-17-12-22(20-26(25)35-3)21-27-29(34)33-30(38-27)31-28(32-33)23-13-15-24(16-14-23)36-18-7-5-2/h12-17,20-21H,4-11,18-19H2,1-3H3/b27-21-InChIKey
IKWLMYOAKVCKRR-MEFGMAGPSA-NSynonyms
(5Z)2(4butoxyphenyl)5((3methoxy4octoxyphenyl)methylidene)(13)thiazolo(32b)(124)triazol6one
(5Z)2(4butoxyphenyl)5(3methoxy4(octyloxy)benzylidene)(13)thiazolo(32b)(124)triazol6(5H)one
CCCCCCCCOC1=C(C=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC=C(C=C4)OCCCC)S2)OC
CCCCCCCCOc1ccc(cc1OC)C=c1sc2n(c1=O)nc(n2)c1ccc(cc1)OCCCC
InChI=1SC30H37N3O4Sc146891011193725171222(2026(25)353)212729(34)3330(3827)3128(3233)23131524(161423)3618752h12172021H4111819H213H3b2721
MFCD18076195
ZINC000097947371
ZINC97947371
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