Vitas-M small molecule compound
7-tert-butyl-3-(3-methylphenyl)-2-thioxo-2,3,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-4(1H)-one
Catalog ID
STL038187
SMILES Cc1cccc(c1)n1c(=S)[nH]c2c(c1=O)c1CCC(Cc1s2)C(C)(C)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 C21H24N2OS2 MW 384.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N2OS2/c1-12-6-5-7-14(10-12)23-19(24)17-15-9-8-13(21(2,3)4)11-16(15)26-18(17)22-20(23)25/h5-7,10,13H,8-9,11H2,1-4H3,(H,22,25)InChIKey
SNBIOLMPBRVLQQ-UHFFFAOYSA-NSynonyms
497867-80-8497867808
7tertbutyl3(3methylphenyl)2sulfanylidene5678tetrahydro1H(1)benzothiolo(23d)pyrimidin4one
7tertbutyl3(3methylphenyl)2thioxo235678hexahydro(1)benzothieno(23d)pyrimidin4(1H)one
CC1=CC(=CC=C1)N2C(=O)C3=C(NC2=S)SC4=C3CCC(C4)C(C)(C)C
Cc1cccc(c1)n1c(=S)(nH)c2c(c1=O)c1CCC(Cc1s2)C(C)(C)C
InChI=1SC21H24N2OS2c11265714(1012)2319(24)17159813(21(23)4)1116(15)2618(17)2220(23)25h571013H8911H214H3(H2225)
MFCD03815554
ZINC000002347009
ZINC000002347010
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