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-[3-(propan-2-yloxy)propyl]butanamide

Catalog ID
STL542189
SMILES COc1c2c(CC[C@@H](c3c2ccc(c(=O)c3)NCCCC(=O)NCCCOC(C)C)NC(=O)C)cc(c1OC)OC

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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 C31H43N3O7 MW 569.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H43N3O7/c1-19(2)41-16-8-15-33-28(37)9-7-14-32-25-13-11-22-23(18-26(25)36)24(34-20(3)35)12-10-21-17-27(38-4)30(39-5)31(40-6)29(21)22/h11,13,17-19,24H,7-10,12,14-16H2,1-6H3,(H,32,36)(H,33,37)(H,34,35)/t24-/m0/s1
InChIKey
PGYVSODQVBCUTN-DEOSSOPVSA-N
Synonyms
1574294-44-2
(S)4((7acetamido123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(3isopropoxypropyl)butanamide
1574294442
4(((7~(S))7acetamido123trimethoxy9oxo67dihydro5~(H)benzo(a)heptalen10yl)amino)~(N)(3propan2yloxypropyl)butanamide
4(((7S)7(acetylamino)123trimethoxy9oxo5679tetrahydrobenzo(a)heptalen10yl)amino)N(3(propan2yloxy)propyl)butanamide
75491402
COc1c2c(CC(C@@H)(c3c2ccc(c(=O)c3)NCCCC(=O)NCCCOC(C)C)NC(=O)C)cc(c1OC)OC
InChI=1SC31H43N3O7c119(2)41168153328(37)9714322513112223(1826(25)36)24(3420(3)35)1210211727(384)30(395)31(406)29(21)22h1113171924H710121416H216H3(H3236)(H3337)(H3435)t24m0s1
ZINC000108448561
ZINC108448561

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Available files

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