Vitas-M small molecule compound

2-[4-(dipropan-2-ylamino)-1,1-dioxido-3-(phenylcarbonyl)-2H-1,2-benzothiazin-2-yl]-1-(4-nitrophenyl)ethanone

Catalog ID
STK725074
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])CN1C(=C(N(C(C)C)C(C)C)c2c(S1(=O)=O)cccc2)C(=O)c1ccccc1

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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 C29H29N3O6S MW 547.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29N3O6S/c1-19(2)31(20(3)4)27-24-12-8-9-13-26(24)39(37,38)30(28(27)29(34)22-10-6-5-7-11-22)18-25(33)21-14-16-23(17-15-21)32(35)36/h5-17,19-20H,18H2,1-4H3
InChIKey
VEAJNTUNWPPZRD-UHFFFAOYSA-N
Synonyms

2(3benzoyl4(di(propan2yl)amino)11dioxo1$l^(6)2benzothiazin2yl)1(4nitrophenyl)ethanone
2(3benzoyl4(diisopropylamino)11dioxido2Hbenzo(e)(12)thiazin2yl)1(4nitrophenyl)ethanone
2(3BENZOYL4(DIPROPAN2YLAMINO)11DIOXIDO2H12BENZOTHIAZIN2YL)1(4NITROPHENYL)ETHANONE
2(4(dipropan2ylamino)11dioxido3(phenylcarbonyl)2H12benzothiazin2yl)1(4nitrophenyl)ethanone
CC(C)N(C1=C(N(S(=O)(=O)C2=CC=CC=C21)CC(=O)C3=CC=C(C=C3)(N+)(=O)(O))C(=O)C4=CC=CC=C4)C(C)C
InChI=1SC29H29N3O6Sc119(2)31(20(3)4)272412891326(24)39(3738)30(28(27)29(34)22106571122)1825(33)21141623(171521)32(35)36h5171920H18H214H3
MFCD02233688
O=C(c1ccc(cc1)(N+)(=O)(O))CN1C(=C(N(C(C)C)C(C)C)c2c(S1(=O)=O)cccc2)C(=O)c1ccccc1
ZINC000001787492
ZINC01787492
ZINC1787492

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Available files

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