Vitas-M small molecule compound
2-[(5Z)-5-(4-ethylbenzylidene)-6-oxo-5,6-dihydro[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl]phenyl acetate
Catalog ID
STK815998
SMILES CCc1ccc(cc1)/C=c/1\sc2n(c1=O)nc(n2)c1ccccc1OC(=O)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 C21H17N3O3S MW 391.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17N3O3S/c1-3-14-8-10-15(11-9-14)12-18-20(26)24-21(28-18)22-19(23-24)16-6-4-5-7-17(16)27-13(2)25/h4-12H,3H2,1-2H3/b18-12-InChIKey
AEXQRTBLWPBRCD-PDGQHHTCSA-NSynonyms
(2((5Z)5((4ETHYLPHENYL)METHYLIDENE)6OXO(13)THIAZOLO(32B)(124)TRIAZOL2YL)PHENYL)ACETATE
2((5Z)5(4ethylbenzylidene)6oxo56dihydro(13)thiazolo(32b)(124)triazol2yl)phenylacetate
CCC1=CC=C(C=C1)C=C2C(=O)N3C(=NC(=N3)C4=CC=CC=C4OC(=O)C)S2
CCc1ccc(cc1)C=c1sc2n(c1=O)nc(n2)c1ccccc1OC(=O)C
InChI=1SC21H17N3O3Sc131481015(11914)121820(26)2421(2818)2219(2324)16645717(16)2713(2)25h412H3H212H3b1812
MFCD03533255
ZINC000016732998
ZINC16732998
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