Vitas-M small molecule compound
methyl (2Z)-2-(1H-indol-3-ylmethylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STL372406
SMILES COC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)/c(=C/c1c[nH]c3c1cccc3)/s2
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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 C22H17N3O3S2 MW 435.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3O3S2/c1-12-18(21(27)28-2)19(16-8-5-9-29-16)25-20(26)17(30-22(25)24-12)10-13-11-23-15-7-4-3-6-14(13)15/h3-11,19,23H,1-2H3/b17-10-InChIKey
RQMIOMWGDWQIJK-YVLHZVERSA-NSynonyms
CC1=C(C(N2C(=O)C(=CC3=CNC4=CC=CC=C43)SC2=N1)C5=CC=CS5)C(=O)OC
COC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)c(=Cc1c(nH)c3c1cccc3)s2
InChI=1SC22H17N3O3S2c11218(21(27)282)19(168592916)2520(26)17(3022(25)2412)1013112315743614(13)15h3111923H12H3b1710
methyl(2Z)2(1Hindol3ylmethylidene)7methyl3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
methyl(2Z)2(1Hindol3ylmethylidene)7methyl3oxo5thiophen2yl5H(13)thiazolo(32a)pyrimidine6carboxylate
MFCD03216455
ZINC000098086664
ZINC000098086665
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