Vitas-M small molecule compound
(2Z)-13-acetyl-5-methyl-2-(1H-pyrrol-2-ylmethylidene)-5H,11H-5,11-methano[1,3]thiazolo[2,3-d][1,3,5]benzoxadiazocin-1(2H)-one
Catalog ID
STL177238
SMILES CC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)/c(=C/c2[nH]ccc2)/s1
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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 C20H17N3O3S MW 379.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17N3O3S/c1-11(24)16-17-13-7-3-4-8-14(13)26-20(16,2)22-19-23(17)18(25)15(27-19)10-12-6-5-9-21-12/h3-10,16-17,21H,1-2H3/b15-10-InChIKey
BUCVJOFDPUWIQE-GDNBJRDFSA-NSynonyms
1025312-42-8(2Z)13acetyl5methyl2(1Hpyrrol2ylmethylidene)5H11H511methano(13)thiazolo(23d)(135)benzoxadiazocin1(2H)one
1025312428
CC(=O)C1C2C3=CC=CC=C3OC1(N=C4N2C(=O)C(=CC5=CC=CN5)S4)C
CC(=O)C1C2c3ccccc3OC1(C)N=c1n2c(=O)c(=Cc2(nH)ccc2)s1
InChI=1SC20H17N3O3Sc111(24)161713734814(13)2620(162)221923(17)18(25)15(2719)10126592112h310161721H12H3b1510
MFCD04052459
ZINC000105264224
ZINC000105264228
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