Vitas-M small molecule compound

(bis{[5-methyl-2-(propan-2-yl)cyclohexyl]oxy}phosphoryl)(pyridin-3-yl)methyl benzoate

Catalog ID
STK532188
SMILES CC1CCC(C(C1)OP(=O)(C(c1cccnc1)OC(=O)c1ccccc1)OC1CC(C)CCC1C(C)C)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 C33H48NO5P MW 569.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H48NO5P/c1-22(2)28-16-14-24(5)19-30(28)38-40(36,39-31-20-25(6)15-17-29(31)23(3)4)33(27-13-10-18-34-21-27)37-32(35)26-11-8-7-9-12-26/h7-13,18,21-25,28-31,33H,14-17,19-20H2,1-6H3
InChIKey
NUHDFIJMLCFSNM-UHFFFAOYSA-N
Synonyms

(bis((2isopropyl5methylcyclohexyl)oxy)phosphoryl)(pyridin3yl)methylbenzoate
(bis((5methyl2(propan2yl)cyclohexyl)oxy)phosphoryl)(pyridin3yl)methylbenzoate
(BIS((5METHYL2PROPAN2YLCYCLOHEXYL)OXY)PHOSPHORYLPYRIDIN3YLMETHYL)BENZOATE
CC1CCC(C(C1)OP(=O)(C(C2=CN=CC=C2)OC(=O)C3=CC=CC=C3)OC4CC(CCC4C(C)C)C)C(C)C
InChI=1SC33H48NO5Pc122(2)28161424(5)1930(28)3840(3639312025(6)151729(31)23(3)4)33(27131018342127)3732(35)26118791226h713182125283133H14171920H216H3
MFCD01954442
ZINC000102410720
ZINC000245327259

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Available files

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