Vitas-M small molecule compound
propan-2-yl (2E)-7-methyl-2-[(3-methylthiophen-2-yl)methylidene]-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798081
SMILES CC(OC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)/c(=C\c1sccc1C)/s2)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 C21H20N2O3S3 MW 444.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O3S3/c1-11(2)26-20(25)17-13(4)22-21-23(18(17)14-6-5-8-27-14)19(24)16(29-21)10-15-12(3)7-9-28-15/h5-11,18H,1-4H3/b16-10+InChIKey
FCBUCTYPTWVZRX-MHWRWJLKSA-NSynonyms
CC(OC(=O)C1=C(C)N=c2n(C1c1cccs1)c(=O)c(=Cc1sccc1C)s2)C
CC1=C(SC=C1)C=C2C(=O)N3C(C(=C(N=C3S2)C)C(=O)OC(C)C)C4=CC=CS4
InChI=1SC21H20N2O3S3c111(2)2620(25)1713(4)222123(18(17)146582714)19(24)16(2921)101512(3)792815h51118H14H3b1610+
MFCD03461862
propan2yl(2E)7methyl2((3methylthiophen2yl)methylidene)3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
PROPAN2YL(2E)7METHYL2((3METHYLTHIOPHEN2YL)METHYLIDENE)3OXO5THIOPHEN2YL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
ZINC000001158935
ZINC000002708967
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