Vitas-M small molecule compound
N-[(2Z)-5-butyl-1,3,4-thiadiazol-2(3H)-ylidene]-4-ethyl-1,5-dioxo-2,3,4,5-tetrahydropyrrolo[1,2-a]quinazoline-3a(1H)-carboxamide
Catalog ID
STK934024
SMILES CCCCc1n[nH]/c(=N/C(=O)C23CCC(=O)N3c3c(C(=O)N2CC)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 C20H23N5O3S MW 413.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N5O3S/c1-3-5-10-15-22-23-19(29-15)21-18(28)20-12-11-16(26)25(20)14-9-7-6-8-13(14)17(27)24(20)4-2/h6-9H,3-5,10-12H2,1-2H3,(H,21,23,28)InChIKey
CXFQPQKVPHKTQF-UHFFFAOYSA-NSynonyms
1236263-90-31236263903
CCCCC1=NN=C(S1)NC(=O)C23CCC(=O)N2C4=CC=CC=C4C(=O)N3CC
CCCCc1n(nH)c(=NC(=O)C23CCC(=O)N3c3c(C(=O)N2CC)cccc3)s1
InChI=1SC20H23N5O3Sc1351015222319(2915)2118(28)20121116(26)25(20)14976813(14)17(27)24(20)42h69H351012H212H3(H212328)
MFCD18177681
N((2Z)5butyl134thiadiazol2(3H)ylidene)4ethyl15dioxo2345tetrahydropyrrolo(12a)quinazoline3a(1H)carboxamide
N(5butyl134thiadiazol2yl)4ethyl15dioxo23dihydropyrrolo(12a)quinazoline3acarboxamide
ZINC000040286249
ZINC000040286251
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