Vitas-M small molecule compound
methyl 2-chloro-5-{[(6S,6aR,13R,13aS)-3,4,6,7,8,9,10,12,13,13a-decahydro-2H-6,13-methanodipyrido[1,2-a:3',2'-e]azocin-1(6aH)-ylcarbonothioyl]amino}benzoate
Catalog ID
STL536719
SMILES COC(=O)c1cc(ccc1Cl)NC(=S)N1CCCC2=C[C@@H]3C[C@H]([C@H]12)CN1CCCC[C@H]31
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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 C24H30ClN3O2S MW 460.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30ClN3O2S/c1-30-23(29)19-13-18(7-8-20(19)25)26-24(31)28-10-4-5-15-11-16-12-17(22(15)28)14-27-9-3-2-6-21(16)27/h7-8,11,13,16-17,21-22H,2-6,9-10,12,14H2,1H3,(H,26,31)/t16-,17+,21+,22+/m0/s1InChIKey
NCCRPPKOEOFVOW-LFWOZUSOSA-NSynonyms
COC(=O)c1cc(ccc1Cl)NC(=S)N1CCCC2=C(C@@H)3C(C@@H)((C@H)12)CN1CCCC(C@H)31
InChI=1SC24H30ClN3O2Sc13023(29)191318(7820(19)25)2624(31)2810451511161217(22(15)28)1427932621(16)27h78111316172122H269101214H21H3(H2631)t1617+21+22+m0s1
methyl2chloro5(((6S6aR13R13aS)34678910121313adecahydro2H613methanodipyrido(12a32e)azocin1(6aH)ylcarbonothioyl)amino)benzoate
methyl2chloro5((6R6aR13R13aS)23466a78910121313adodecahydro1H613methanodipyrido(12a32e)azocine1carbothioamido)benzoate
MFCD05673488
ZINC000100763178
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