Vitas-M small molecule compound
ethyl [(2Z)-2-({[1,5-dioxo-4-(propan-2-yl)-2,3,4,5-tetrahydropyrrolo[1,2-a]quinazolin-3a(1H)-yl]carbonyl}imino)-2,3-dihydro-1,3-thiazol-4-yl]acetate (non-preferred name)
Catalog ID
STK943060
SMILES CCOC(=O)Cc1cs/c(=N\C(=O)C23CCC(=O)N3c3c(C(=O)N2C(C)C)cccc3)/[nH]1
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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 C22H24N4O5S MW 456.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N4O5S/c1-4-31-18(28)11-14-12-32-21(23-14)24-20(30)22-10-9-17(27)26(22)16-8-6-5-7-15(16)19(29)25(22)13(2)3/h5-8,12-13H,4,9-11H2,1-3H3,(H,23,24,30)InChIKey
AXCGKVFJIFWQKC-UHFFFAOYSA-NSynonyms
1236258-40-41236258404
CCOC(=O)CC1=CSC(=N1)NC(=O)C23CCC(=O)N2C4=CC=CC=C4C(=O)N3C(C)C
CCOC(=O)Cc1csc(=NC(=O)C23CCC(=O)N3c3c(C(=O)N2C(C)C)cccc3)(nH)1
ethyl((2Z)2(((15dioxo4(propan2yl)2345tetrahydropyrrolo(12a)quinazolin3a(1H)yl)carbonyl)imino)23dihydro13thiazol4yl)acetate(nonpreferredname)
ethyl2(2((15dioxo4propan2yl23dihydropyrrolo(12a)quinazoline3acarbonyl)amino)13thiazol4yl)acetate
InChI=1SC22H24N4O5Sc143118(28)1114123221(2314)2420(30)2210917(27)26(22)16865715(16)19(29)25(22)13(2)3h581213H4911H213H3(H232430)
MFCD18180276
ZINC000040266208
ZINC000040266209
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