Vitas-M small molecule compound
benzyl (2Z)-2-(4-tert-butylbenzylidene)-7-methyl-3-oxo-5-(thiophen-2-yl)-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Catalog ID
STK798945
SMILES O=C(C1=C(C)N=c2n(C1c1cccs1)c(=O)/c(=C/c1ccc(cc1)C(C)(C)C)/s2)OCc1ccccc1
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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 C30H28N2O3S2 MW 528.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N2O3S2/c1-19-25(28(34)35-18-21-9-6-5-7-10-21)26(23-11-8-16-36-23)32-27(33)24(37-29(32)31-19)17-20-12-14-22(15-13-20)30(2,3)4/h5-17,26H,18H2,1-4H3/b24-17-InChIKey
UOMBTPCCKFVRKS-ULJHMMPZSA-NSynonyms
BENZYL(2Z)2((4TERTBUTYLPHENYL)METHYLIDENE)7METHYL3OXO5THIOPHEN2YL5H(13)THIAZOLO(32A)PYRIMIDINE6CARBOXYLATE
benzyl(2Z)2(4tertbutylbenzylidene)7methyl3oxo5(thiophen2yl)23dihydro5H(13)thiazolo(32a)pyrimidine6carboxylate
CC1=C(C(N2C(=O)C(=CC3=CC=C(C=C3)C(C)(C)C)SC2=N1)C4=CC=CS4)C(=O)OCC5=CC=CC=C5
InChI=1SC30H28N2O3S2c11925(28(34)35182196571021)26(23118163623)3227(33)24(3729(32)3119)1720121422(151320)30(23)4h51726H18H214H3b2417
MFCD03213200
O=C(C1=C(C)N=c2n(C1c1cccs1)c(=O)c(=Cc1ccc(cc1)C(C)(C)C)s2)OCc1ccccc1
ZINC000002671613
ZINC000002671615
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