Vitas-M small molecule compound

4-{[(7S)-7-(acetylamino)-1,2,3-trimethoxy-9-oxo-5,6,7,9-tetrahydrobenzo[a]heptalen-10-yl]amino}-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)butanamide

Catalog ID
STL551083
SMILES COc1cc2CC[C@@H](c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCCCC(=O)Nc1c(C)nn(c1C)C)NC(=O)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 C31H39N5O6 MW 577.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H39N5O6/c1-17-29(18(2)36(4)35-17)34-27(39)9-8-14-32-24-13-11-21-22(16-25(24)38)23(33-19(3)37)12-10-20-15-26(40-5)30(41-6)31(42-7)28(20)21/h11,13,15-16,23H,8-10,12,14H2,1-7H3,(H,32,38)(H,33,37)(H,34,39)/t23-/m0/s1
InChIKey
KDMPAQLAVQKNHI-QHCPKHFHSA-N
Synonyms

(S)4((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(135trimethyl1Hpyrazol4yl)butanamide
127253696
4(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(135trimethylpyrazol4yl)butanamide
4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(135trimethyl1Hpyrazol4yl)butanamide
COc1cc2CC(C@@H)(c3c(c2c(c1OC)OC)ccc(c(=O)c3)NCCCC(=O)Nc1c(C)nn(c1C)C)NC(=O)C
InChI=1SC31H39N5O6c11729(18(2)36(4)3517)3427(39)9814322413112122(1625(24)38)23(3319(3)37)1210201526(405)30(416)31(427)28(20)21h1113151623H8101214H217H3(H3238)(H3337)(H3439)t23m0s1
ZINC000604404144
ZINC604404144

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Available files

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