Vitas-M small molecule compound
N-[(2Z)-5-butyl-1,3,4-thiadiazol-2(3H)-ylidene]-1,5-dioxo-4-(propan-2-yl)-2,3,4,5-tetrahydropyrrolo[1,2-a]quinazoline-3a(1H)-carboxamide
Catalog ID
STK935430
SMILES CCCCc1n[nH]/c(=N/C(=O)C23CCC(=O)N3c3c(C(=O)N2C(C)C)cccc3)/s1
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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 C21H25N5O3S MW 427.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N5O3S/c1-4-5-10-16-23-24-20(30-16)22-19(29)21-12-11-17(27)26(21)15-9-7-6-8-14(15)18(28)25(21)13(2)3/h6-9,13H,4-5,10-12H2,1-3H3,(H,22,24,29)InChIKey
ZNJDKDNPNVJSKK-UHFFFAOYSA-NSynonyms
1236265-76-11236265761
CCCCC1=NN=C(S1)NC(=O)C23CCC(=O)N2C4=CC=CC=C4C(=O)N3C(C)C
CCCCc1n(nH)c(=NC(=O)C23CCC(=O)N3c3c(C(=O)N2C(C)C)cccc3)s1
InChI=1SC21H25N5O3Sc1451016232420(3016)2219(29)21121117(27)26(21)15976814(15)18(28)25(21)13(2)3h6913H451012H213H3(H222429)
MFCD18178063
N((2Z)5butyl134thiadiazol2(3H)ylidene)15dioxo4(propan2yl)2345tetrahydropyrrolo(12a)quinazoline3a(1H)carboxamide
N(5butyl134thiadiazol2yl)15dioxo4propan2yl23dihydropyrrolo(12a)quinazoline3acarboxamide
ZINC000040267653
ZINC000040267654
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