Vitas-M small molecule compound

(5E)-5-(2-butoxybenzylidene)-2-(2-chlorophenyl)[1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one

Catalog ID
STK812626
SMILES CCCCOc1ccccc1/C=c\1/sc2n(c1=O)nc(n2)c1ccccc1Cl

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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 C21H18ClN3O2S MW 411.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClN3O2S/c1-2-3-12-27-17-11-7-4-8-14(17)13-18-20(26)25-21(28-18)23-19(24-25)15-9-5-6-10-16(15)22/h4-11,13H,2-3,12H2,1H3/b18-13+
InChIKey
QEWILYGOGFLGGN-QGOAFFKASA-N
Synonyms

(5E)5((2BUTOXYPHENYL)METHYLIDENE)2(2CHLOROPHENYL)(13)THIAZOLO(32B)(124)TRIAZOL6ONE
(5E)5(2butoxybenzylidene)2(2chlorophenyl)(13)thiazolo(32b)(124)triazol6(5H)one
(Z)5(2butoxybenzylidene)2(2chlorophenyl)thiazolo(32b)(124)triazol6(5H)one
5((2BUTOXYPHENYL)METHYLIDENE)2(2CHLOROPHENYL)5H6H(124)TRIAZOLO(32B)(13)THIAZOL6ONE
CCCCOC1=CC=CC=C1C=C2C(=O)N3C(=NC(=N3)C4=CC=CC=C4Cl)S2
CCCCOc1ccccc1C=c1sc2n(c1=O)nc(n2)c1ccccc1Cl
InChI=1SC21H18ClN3O2Sc1231227171174814(17)131820(26)2521(2818)2319(2425)159561016(15)22h41113H2312H21H3b1813+
MFCD06265045
ZINC000002376296
ZINC02376296
ZINC2376296

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Available files

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