Vitas-M small molecule compound
5-bromo-2'-(thiophen-2-yl)-1',10b'-dihydrospiro[indole-3,5'-pyrazolo[1,5-c][1,3]benzoxazin]-2(1H)-one
Catalog ID
STL022383
SMILES Brc1ccc2c(c1)C1(Oc3ccccc3C3N1N=C(C3)c1cccs1)C(=O)N2
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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 C21H14BrN3O2S MW 452.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14BrN3O2S/c22-12-7-8-15-14(10-12)21(20(26)23-15)25-17(13-4-1-2-5-18(13)27-21)11-16(24-25)19-6-3-9-28-19/h1-10,17H,11H2,(H,23,26)InChIKey
VQOUKZXVAATIHY-UHFFFAOYSA-NSynonyms
18BROMO9(2THIENYL)SPIRO(10AHBENZO(E)2PYRAZOLINO(15C)13OXAZINE63INDOLINE)15ONE
5bromo2(thiophen2yl)110bdihydrospiro(indole35pyrazolo(15c)(13)benzoxazin)2(1H)one
5bromo2thiophen2ylspiro(110bdihydropyrazolo(15c)(13)benzoxazine531Hindole)2one
C1C2C3=CC=CC=C3OC4(N2N=C1C5=CC=CS5)C6=C(C=CC(=C6)Br)NC4=O
InChI=1SC21H14BrN3O2Sc2212781514(1012)21(20(26)2315)2517(13412518(13)2721)1116(2425)196392819h11017H11H2(H2326)
MFCD06651064
ZINC000008798559
ZINC000012130131
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