Vitas-M small molecule compound
4-butyl-1,5-dioxo-N-[(2Z)-5-(propan-2-yl)-1,3,4-thiadiazol-2(3H)-ylidene]-2,3,4,5-tetrahydropyrrolo[1,2-a]quinazoline-3a(1H)-carboxamide
Catalog ID
STK934971
SMILES CCCCN1C(=O)c2ccccc2N2C1(CCC2=O)C(=O)/N=c\1/[nH]nc(s1)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 C21H25N5O3S MW 427.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N5O3S/c1-4-5-12-25-18(28)14-8-6-7-9-15(14)26-16(27)10-11-21(25,26)19(29)22-20-24-23-17(30-20)13(2)3/h6-9,13H,4-5,10-12H2,1-3H3,(H,22,24,29)InChIKey
WBHVNDFHFBNVMF-UHFFFAOYSA-NSynonyms
1236271-77-41236271774
4butyl15dioxoN((2Z)5(propan2yl)134thiadiazol2(3H)ylidene)2345tetrahydropyrrolo(12a)quinazoline3a(1H)carboxamide
4butyl15dioxoN(5propan2yl134thiadiazol2yl)23dihydropyrrolo(12a)quinazoline3acarboxamide
CCCCN1C(=O)C2=CC=CC=C2N3C1(CCC3=O)C(=O)NC4=NN=C(S4)C(C)C
CCCCN1C(=O)c2ccccc2N2C1(CCC2=O)C(=O)N=c1(nH)nc(s1)C(C)C
InChI=1SC21H25N5O3Sc145122518(28)14867915(14)2616(27)101121(2526)19(29)2220242317(3020)13(2)3h6913H451012H213H3(H222429)
MFCD18177936
ZINC000040266312
ZINC000040266313
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