Vitas-M small molecule compound
N~3~-cyclopentyl-5-oxo-N~8~-(prop-2-en-1-yl)-1-thioxo-4,5-dihydro[1,3]thiazolo[3,4-a]quinazoline-3,8-dicarboxamide
Catalog ID
STL133971
SMILES C=CCNC(=O)c1ccc2c(c1)n1c(=S)sc(c1[nH]c2=O)C(=O)NC1CCCC1
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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 C20H20N4O3S2 MW 428.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20N4O3S2/c1-2-9-21-17(25)11-7-8-13-14(10-11)24-16(23-18(13)26)15(29-20(24)28)19(27)22-12-5-3-4-6-12/h2,7-8,10,12H,1,3-6,9H2,(H,21,25)(H,22,27)(H,23,26)InChIKey
XXWVVSDZIDWYEW-UHFFFAOYSA-NSynonyms
3NCYCLOPENTYL5OXO8NPROP2ENYL1SULFANYLIDENE4H(13)THIAZOLO(34A)QUINAZOLINE38DICARBOXAMIDE
C=CCNC(=O)C1=CC2=C(C=C1)C(=O)NC3=C(SC(=S)N23)C(=O)NC4CCCC4
C=CCNC(=O)c1ccc2c(c1)n1c(=S)sc(c1(nH)c2=O)C(=O)NC1CCCC1
InChI=1SC20H20N4O3S2c1292117(25)11781314(1011)2416(2318(13)26)15(2920(24)28)19(27)2212534612h2781012H1369H2(H2125)(H2227)(H2326)
MFCD05032529
N~3~cyclopentyl5oxoN~8~(prop2en1yl)1thioxo45dihydro(13)thiazolo(34a)quinazoline38dicarboxamide
N3CYCLOPENTYL5OXON8(PROP2EN1YL)1THIOXO45DIHYDRO(13)THIAZOLO(34A)QUINAZOLINE38DICARBOXAMIDE
ZINC000002956556
ZINC2956556
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